N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C45H52N14O3 — CID 157107242

About N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157107242) has the molecular formula C45H52N14O3 and a molecular weight of 837.01 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157107242
• Molecular Formula: C45H52N14O3
• Molecular Weight: 837.01 g/mol
• Exact Mass: 836.43
• IUPAC Name: N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3C)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
• InChI: InChI=1S/C23H27N7O.C22H25N7O2/c1-13(2)29-12-17(15-6-5-9-25-21(15)29)19-10-20(24-4)30-22(27-19)16(11-26-30)23(31)28-18-8-7-14(18)3;1-12(2)28-11-15(13-5-4-8-24-20(13)28)17-9-19(23-3)29-21(26-17)14(10-25-29)22(31)27-16-6-7-18(16)30/h5-6,9-14,18,24H,7-8H2,1-4H3,(H,28,31);4-5,8-12,16,18,23,30H,6-7H2,1-3H3,(H,27,31)/t14-,18-;16-,18+/m00/s1
• InChIKey: AGKYYJSLMRKAKC-RWXRKIQNSA-N
• XLogP: 6.52
• TPSA: 198.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.01
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157107242) is N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3C)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.

What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AGKYYJSLMRKAKC-RWXRKIQNSA-N. The full InChI is InChI=1S/C23H27N7O.C22H25N7O2/c1-13(2)29-12-17(15-6-5-9-25-21(15)29)19-10-20(24-4)30-22(27-19)16(11-26-30)23(31)28-18-8-7-14(18)3;1-12(2)28-11-15(13-5-4-8-24-20(13)28)17-9-19(23-3)29-21(26-17)14(10-25-29)22(31)27-16-6-7-18(16)30/h5-6,9-14,18,24H,7-8H2,1-4H3,(H,28,31);4-5,8-12,16,18,23,30H,6-7H2,1-3H3,(H,27,31)/t14-,18-;16-,18+/m00/s1.

What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 837.01 g/mol, XLogP of 6.52, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157107242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).