N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H30FN7O3 — CID 146560170

IUPACN-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C24H30FN7O3/c1-26-21-12-20(30-22-16(13-27-32(21)22)23(33)29-18-9-8-17(18)25)28-19-7-4-10-31(24(19)34)14-5-3-6-15(11-14)35-2/h4,7,10,12-15,17-18,26H,3,5-6,8-9,11H2,1-2H3,(H,28,30)(H,29,33)/t14-,15-,17-,18-/m0/s1
InChIKeyRUEMXGZGPASXBO-LAQRGFTBSA-N
MW483.55 g/mol
LogP3.04
Rot. Bonds7

About N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560170) has the molecular formula C24H30FN7O3 and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560170
Molecular FormulaC24H30FN7O3
Molecular Weight483.55 g/mol
Exact Mass483.24
IUPAC NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C24H30FN7O3/c1-26-21-12-20(30-22-16(13-27-32(21)22)23(33)29-18-9-8-17(18)25)28-19-7-4-10-31(24(19)34)14-5-3-6-15(11-14)35-2/h4,7,10,12-15,17-18,26H,3,5-6,8-9,11H2,1-2H3,(H,28,30)(H,29,33)/t14-,15-,17-,18-/m0/s1
InChIKeyRUEMXGZGPASXBO-LAQRGFTBSA-N
XLogP3.04
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560170) is N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RUEMXGZGPASXBO-LAQRGFTBSA-N. The full InChI is InChI=1S/C24H30FN7O3/c1-26-21-12-20(30-22-16(13-27-32(21)22)23(33)29-18-9-8-17(18)25)28-19-7-4-10-31(24(19)34)14-5-3-6-15(11-14)35-2/h4,7,10,12-15,17-18,26H,3,5-6,8-9,11H2,1-2H3,(H,28,30)(H,29,33)/t14-,15-,17-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).