N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C23H26N6S — CID 66836949

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66836949) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 66836949
• Molecular Formula: C23H26N6S
• Molecular Weight: 418.57 g/mol
• Exact Mass: 418.19
• IUPAC Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1nc(C)c(CNc2cc(C(C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1
• InChI: InChI=1S/C23H26N6S/c1-14(10-17-11-18(17)19-6-4-5-8-24-19)20-12-23(29-22(28-20)7-9-26-29)25-13-21-15(2)27-16(3)30-21/h4-9,12,14,17-18,25H,10-11,13H2,1-3H3/t14?,17-,18-/m1/s1
• InChIKey: OMKOLDKFPQMPHA-KNHHTTPFSA-N
• XLogP: 5.11
• TPSA: 68.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.57
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 66836949) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc(C)c(CNc2cc(C(C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1.

What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is OMKOLDKFPQMPHA-KNHHTTPFSA-N. The full InChI is InChI=1S/C23H26N6S/c1-14(10-17-11-18(17)19-6-4-5-8-24-19)20-12-23(29-22(28-20)7-9-26-29)25-13-21-15(2)27-16(3)30-21/h4-9,12,14,17-18,25H,10-11,13H2,1-3H3/t14?,17-,18-/m1/s1.

What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 418.57 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-[1-[(1S,2R)-2-pyridin-2-ylcyclopropyl]propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66836949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).