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

C19H23N7O3 — CID 146383309

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

N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383309) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383309
• Molecular Formula: C19H23N7O3
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.19
• IUPAC Name: N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3CC[C@H](O)C3)cnn12
• InChI: InChI=1S/C19H23N7O3/c1-20-16-9-15(24-14-4-3-7-21-19(14)29-2)25-17-13(10-22-26(16)17)18(28)23-11-5-6-12(27)8-11/h3-4,7,9-12,20,27H,5-6,8H2,1-2H3,(H,23,28)(H,24,25)/t11-,12-/m0/s1
• InChIKey: ZCYSGUIPTJHTSU-RYUDHWBXSA-N
• XLogP: 1.56
• TPSA: 125.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383309) is N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3CC[C@H](O)C3)cnn12.

What is the InChIKey of N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZCYSGUIPTJHTSU-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-20-16-9-15(24-14-4-3-7-21-19(14)29-2)25-17-13(10-22-26(16)17)18(28)23-11-5-6-12(27)8-11/h3-4,7,9-12,20,27H,5-6,8H2,1-2H3,(H,23,28)(H,24,25)/t11-,12-/m0/s1.

What are the key properties of N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).