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

C17H19N7O3 — CID 137441428

IUPACN-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12
InChIInChI=1S/C17H19N7O3/c1-18-14-7-13(21-10-4-3-5-19-17(10)27-2)23-15-9(8-20-24(14)15)16(26)22-11-6-12(11)25/h3-5,7-8,11-12,18,25H,6H2,1-2H3,(H,21,23)(H,22,26)/t11-,12-/m0/s1
InChIKeyOTOMIDVCRVWSEZ-RYUDHWBXSA-N
MW369.39 g/mol
LogP0.78
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441428) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441428
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC NameN-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12
InChIInChI=1S/C17H19N7O3/c1-18-14-7-13(21-10-4-3-5-19-17(10)27-2)23-15-9(8-20-24(14)15)16(26)22-11-6-12(11)25/h3-5,7-8,11-12,18,25H,6H2,1-2H3,(H,21,23)(H,22,26)/t11-,12-/m0/s1
InChIKeyOTOMIDVCRVWSEZ-RYUDHWBXSA-N
XLogP0.78
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441428) is N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@@H]3O)cnn12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OTOMIDVCRVWSEZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-18-14-7-13(21-10-4-3-5-19-17(10)27-2)23-15-9(8-20-24(14)15)16(26)22-11-6-12(11)25/h3-5,7-8,11-12,18,25H,6H2,1-2H3,(H,21,23)(H,22,26)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).