5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C48H62N14O8 — CID 157235632

IUPAC5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@H](OC)C3)cnn12
InChIInChI=1S/2C24H31N7O4/c2*1-25-21-12-20(28-17-5-4-10-30(24(17)34)18-6-3-7-19(18)32)29-22-16(13-26-31(21)22)23(33)27-14-8-9-15(11-14)35-2/h2*4-5,10,12-15,18-19,25,32H,3,6-9,11H2,1-2H3,(H,27,33)(H,28,29)/t14-,15-,18+,19-;14-,15-,18-,19+/m10/s1
InChIKeyAUPHABFXJKAVFD-VKUDRLHNSA-N
MW963.11 g/mol
LogP4.12
Rot. Bonds14

About 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157235632) has the molecular formula C48H62N14O8 and a molecular weight of 963.11 g/mol. Its IUPAC name is 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157235632
Molecular FormulaC48H62N14O8
Molecular Weight963.11 g/mol
Exact Mass962.49
IUPAC Name5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@H](OC)C3)cnn12
InChIInChI=1S/2C24H31N7O4/c2*1-25-21-12-20(28-17-5-4-10-30(24(17)34)18-6-3-7-19(18)32)29-22-16(13-26-31(21)22)23(33)27-14-8-9-15(11-14)35-2/h2*4-5,10,12-15,18-19,25,32H,3,6-9,11H2,1-2H3,(H,27,33)(H,28,29)/t14-,15-,18+,19-;14-,15-,18-,19+/m10/s1
InChIKeyAUPHABFXJKAVFD-VKUDRLHNSA-N
XLogP4.12
TPSA269.62 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.11
LogP ≤ 54.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450200
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450209
N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560157
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560159
N-[(1R,2R)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569853
N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569867
N-[(1R,2R)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569885
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486202
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449182
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449229
5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449242
N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449253

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157235632) is 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12.CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@H](OC)C3)cnn12.
What is the InChIKey of 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AUPHABFXJKAVFD-VKUDRLHNSA-N. The full InChI is InChI=1S/2C24H31N7O4/c2*1-25-21-12-20(28-17-5-4-10-30(24(17)34)18-6-3-7-19(18)32)29-22-16(13-26-31(21)22)23(33)27-14-8-9-15(11-14)35-2/h2*4-5,10,12-15,18-19,25,32H,3,6-9,11H2,1-2H3,(H,27,33)(H,28,29)/t14-,15-,18+,19-;14-,15-,18-,19+/m10/s1.
What are the key properties of 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 963.11 g/mol, XLogP of 4.12, 14 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157235632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).