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

C24H23FN10O — CID 142469258

IUPAC7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnc2cc(-c3ccc(F)nc3)nn12
InChIInChI=1S/C24H23FN10O/c1-24(2)13-34(20-6-4-15(10-26)31-32-20)8-7-18(24)30-23-16(22(27)36)12-29-21-9-17(33-35(21)23)14-3-5-19(25)28-11-14/h3-6,9,11-12,18,30H,7-8,13H2,1-2H3,(H2,27,36)/t18-/m1/s1
InChIKeyJCQZAHAQZMHZIH-GOSISDBHSA-N
MW486.52 g/mol
LogP2.41
Rot. Bonds5

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

7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 142469258) has the molecular formula C24H23FN10O and a molecular weight of 486.52 g/mol. Its IUPAC name is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-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-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID142469258
Molecular FormulaC24H23FN10O
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Name7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnc2cc(-c3ccc(F)nc3)nn12
InChIInChI=1S/C24H23FN10O/c1-24(2)13-34(20-6-4-15(10-26)31-32-20)8-7-18(24)30-23-16(22(27)36)12-29-21-9-17(33-35(21)23)14-3-5-19(25)28-11-14/h3-6,9,11-12,18,30H,7-8,13H2,1-2H3,(H2,27,36)/t18-/m1/s1
InChIKeyJCQZAHAQZMHZIH-GOSISDBHSA-N
XLogP2.41
TPSA151.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-fluoro-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-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 142469258) is 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-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-fluoro-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-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnc2cc(-c3ccc(F)nc3)nn12.
What is the InChIKey of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JCQZAHAQZMHZIH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23FN10O/c1-24(2)13-34(20-6-4-15(10-26)31-32-20)8-7-18(24)30-23-16(22(27)36)12-29-21-9-17(33-35(21)23)14-3-5-19(25)28-11-14/h3-6,9,11-12,18,30H,7-8,13H2,1-2H3,(H2,27,36)/t18-/m1/s1.
What are the key properties of 7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 2.41, 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-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 142469258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).