N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

C76H103N21O12 — CID 159642995

IUPACN-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
SMILESC.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/3C25H33N7O4.CH4/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);1H4/t15?,17?,19-,25?;2*15?,17-,19+,25?;/m110./s1
InChIKeyMQPBNYRQPRAKGY-GOYVSWTKSA-N
MW1502.79 g/mol
LogP7.98
Rot. Bonds21

About N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (PubChem CID 159642995) has the molecular formula C76H103N21O12 and a molecular weight of 1502.79 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
PubChem CID159642995
Molecular FormulaC76H103N21O12
Molecular Weight1502.79 g/mol
Exact Mass1501.81
IUPAC NameN-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
SMILESC.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/3C25H33N7O4.CH4/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);1H4/t15?,17?,19-,25?;2*15?,17-,19+,25?;/m110./s1
InChIKeyMQPBNYRQPRAKGY-GOYVSWTKSA-N
XLogP7.98
TPSA404.43 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001502.79
LogP ≤ 57.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane with MolForge

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Related Compounds

N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441507
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441510
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450076
N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450083
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425614
N-[(1R,2R)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425639
N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425641
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425670
N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425689
N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523568
5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560197
5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569511

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (CID 159642995) is N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is C.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
The InChIKey is MQPBNYRQPRAKGY-GOYVSWTKSA-N. The full InChI is InChI=1S/3C25H33N7O4.CH4/c3*1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33;/h3*4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34);1H4/t15?,17?,19-,25?;2*15?,17-,19+,25?;/m110./s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane has a molecular weight of 1502.79 g/mol, XLogP of 7.98, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is sourced from PubChem (CID 159642995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).