7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26N10O2 — CID 142469261

IUPAC7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)cn1
InChIInChI=1S/C25H26N10O2/c1-25(2)14-34(20-6-5-16(11-26)31-32-20)9-8-19(25)30-24-17(23(27)36)13-28-21-10-18(33-35(21)24)15-4-7-22(37-3)29-12-15/h4-7,10,12-13,19,30H,8-9,14H2,1-3H3,(H2,27,36)/t19-/m1/s1
InChIKeyQUZAOGVECIEWLE-LJQANCHMSA-N
MW498.55 g/mol
LogP2.28
Rot. Bonds6

About 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 142469261) has the molecular formula C25H26N10O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID142469261
Molecular FormulaC25H26N10O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)cn1
InChIInChI=1S/C25H26N10O2/c1-25(2)14-34(20-6-5-16(11-26)31-32-20)9-8-19(25)30-24-17(23(27)36)13-28-21-10-18(33-35(21)24)15-4-7-22(37-3)29-12-15/h4-7,10,12-13,19,30H,8-9,14H2,1-3H3,(H2,27,36)/t19-/m1/s1
InChIKeyQUZAOGVECIEWLE-LJQANCHMSA-N
XLogP2.28
TPSA160.24 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 142469261) is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)cn1.
What is the InChIKey of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QUZAOGVECIEWLE-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N10O2/c1-25(2)14-34(20-6-5-16(11-26)31-32-20)9-8-19(25)30-24-17(23(27)36)13-28-21-10-18(33-35(21)24)15-4-7-22(37-3)29-12-15/h4-7,10,12-13,19,30H,8-9,14H2,1-3H3,(H2,27,36)/t19-/m1/s1.
What are the key properties of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 142469261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).