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

C25H26N10O — CID 142469270

IUPAC7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)ccn1
InChIInChI=1S/C25H26N10O/c1-15-10-16(6-8-28-15)19-11-22-29-13-18(23(27)36)24(35(22)33-19)30-20-7-9-34(14-25(20,2)3)21-5-4-17(12-26)31-32-21/h4-6,8,10-11,13,20,30H,7,9,14H2,1-3H3,(H2,27,36)/t20-/m1/s1
InChIKeyYELDZETVZPUXHI-HXUWFJFHSA-N
MW482.55 g/mol
LogP2.58
Rot. Bonds5

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

7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 142469270) has the molecular formula C25H26N10O and a molecular weight of 482.55 g/mol. Its IUPAC name is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-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-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID142469270
Molecular FormulaC25H26N10O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)ccn1
InChIInChI=1S/C25H26N10O/c1-15-10-16(6-8-28-15)19-11-22-29-13-18(23(27)36)24(35(22)33-19)30-20-7-9-34(14-25(20,2)3)21-5-4-17(12-26)31-32-21/h4-6,8,10-11,13,20,30H,7,9,14H2,1-3H3,(H2,27,36)/t20-/m1/s1
InChIKeyYELDZETVZPUXHI-HXUWFJFHSA-N
XLogP2.58
TPSA151.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-(2-methyl-4-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-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 142469270) is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-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-(2-methyl-4-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-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc(-c2cc3ncc(C(N)=O)c(N[C@@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)n3n2)ccn1.
What is the InChIKey of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YELDZETVZPUXHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N10O/c1-15-10-16(6-8-28-15)19-11-22-29-13-18(23(27)36)24(35(22)33-19)30-20-7-9-34(14-25(20,2)3)21-5-4-17(12-26)31-32-21/h4-6,8,10-11,13,20,30H,7,9,14H2,1-3H3,(H2,27,36)/t20-/m1/s1.
What are the key properties of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 10 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-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 142469270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).