N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H29N7O4 — CID 137450221

About N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450221) has the molecular formula C22H29N7O4 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450221
• Molecular Formula: C22H29N7O4
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.23
• IUPAC Name: N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)NC[C@H](C)CO)cnn12
• InChI: InChI=1S/C22H29N7O4/c1-14(13-30)11-24-21(31)16-12-25-29-19(23-2)10-18(27-20(16)29)26-17-4-3-7-28(22(17)32)15-5-8-33-9-6-15/h3-4,7,10,12,14-15,23,30H,5-6,8-9,11,13H2,1-2H3,(H,24,31)(H,26,27)/t14-/m0/s1
• InChIKey: IJJSGHHYYHKDSQ-AWEZNQCLSA-N
• XLogP: 1.39
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450221) is N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)NC[C@H](C)CO)cnn12.

What is the InChIKey of N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IJJSGHHYYHKDSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H29N7O4/c1-14(13-30)11-24-21(31)16-12-25-29-19(23-2)10-18(27-20(16)29)26-17-4-3-7-28(22(17)32)15-5-8-33-9-6-15/h3-4,7,10,12,14-15,23,30H,5-6,8-9,11,13H2,1-2H3,(H,24,31)(H,26,27)/t14-/m0/s1.

What are the key properties of N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).