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

C23H29N7O3 — CID 146569492

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

7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146569492) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146569492
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-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)N[C@H]3CC[C@H]3C)cnn12
• InChI: InChI=1S/C23H29N7O3/c1-14-5-6-17(14)27-22(31)16-13-25-30-20(24-2)12-19(28-21(16)30)26-18-4-3-9-29(23(18)32)15-7-10-33-11-8-15/h3-4,9,12-15,17,24H,5-8,10-11H2,1-2H3,(H,26,28)(H,27,31)/t14-,17+/m1/s1
• InChIKey: BAJNHFXCQQVKEV-PBHICJAKSA-N
• XLogP: 2.56
• TPSA: 114.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569492) is 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-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)N[C@H]3CC[C@H]3C)cnn12.

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

The InChIKey is BAJNHFXCQQVKEV-PBHICJAKSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-14-5-6-17(14)27-22(31)16-13-25-30-20(24-2)12-19(28-21(16)30)26-18-4-3-9-29(23(18)32)15-7-10-33-11-8-15/h3-4,9,12-15,17,24H,5-8,10-11H2,1-2H3,(H,26,28)(H,27,31)/t14-,17+/m1/s1.

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

7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146569492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).