N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N7O4 — CID 146484592

About N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146484592) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146484592
• Molecular Formula: C22H25N7O4
• Molecular Weight: 451.49 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC3OC)cnn12
• InChI: InChI=1S/C22H25N7O4/c1-23-18-7-17(25-14-4-3-5-28(22(14)31)19-12-9-33-10-13(12)19)27-20-11(8-24-29(18)20)21(30)26-15-6-16(15)32-2/h3-5,7-8,12-13,15-16,19,23H,6,9-10H2,1-2H3,(H,25,27)(H,26,30)/t12-,13+,15?,16?,19?
• InChIKey: OMNIRFQLTOFWON-HVQMDZBVSA-N
• XLogP: 1.01
• TPSA: 123.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.49
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146484592) is N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC3OC)cnn12.

What is the InChIKey of N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OMNIRFQLTOFWON-HVQMDZBVSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-23-18-7-17(25-14-4-3-5-28(22(14)31)19-12-9-33-10-13(12)19)27-20-11(8-24-29(18)20)21(30)26-15-6-16(15)32-2/h3-5,7-8,12-13,15-16,19,23H,6,9-10H2,1-2H3,(H,25,27)(H,26,30)/t12-,13+,15?,16?,19?.

What are the key properties of N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146484592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).