N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O3 — CID 147700653

About N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 147700653) has the molecular formula C20H25N7O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 147700653
• Molecular Formula: C20H25N7O3
• Molecular Weight: 414.48 g/mol
• Exact Mass: 414.22
• IUPAC Name: N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1ncccc1Nc1cc(NC)n2ncc(C(=O)N[C@@H]3CCC[C@@H](O)C3)c2n1
• InChI: InChI=1S/C20H25N7O3/c1-21-17-10-16(25-15-7-4-8-22-20(15)30-2)26-18-14(11-23-27(17)18)19(29)24-12-5-3-6-13(28)9-12/h4,7-8,10-13,21,28H,3,5-6,9H2,1-2H3,(H,24,29)(H,25,26)/t12-,13-/m1/s1/i2D3
• InChIKey: GSTVJESXEFASCU-BIAPXDSJSA-N
• XLogP: 1.95
• TPSA: 125.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.48
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 147700653) is N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [2H]C([2H])([2H])Oc1ncccc1Nc1cc(NC)n2ncc(C(=O)N[C@@H]3CCC[C@@H](O)C3)c2n1.

What is the InChIKey of N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GSTVJESXEFASCU-BIAPXDSJSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-21-17-10-16(25-15-7-4-8-22-20(15)30-2)26-18-14(11-23-27(17)18)19(29)24-12-5-3-6-13(28)9-12/h4,7-8,10-13,21,28H,3,5-6,9H2,1-2H3,(H,24,29)(H,25,26)/t12-,13-/m1/s1/i2D3.

What are the key properties of N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 147700653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).