6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C21H26N6O — CID 25182913

IUPAC6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1
InChIInChI=1S/C21H26N6O/c1-14(2)12-27(17-5-3-4-6-17)20-10-19(22-13-23-20)21(28)25-16-7-8-18-15(9-16)11-24-26-18/h7-11,13-14,17H,3-6,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyHDMIXUZKPWZRNL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.01
Rot. Bonds6

About 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182913) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182913
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1
InChIInChI=1S/C21H26N6O/c1-14(2)12-27(17-5-3-4-6-17)20-10-19(22-13-23-20)21(28)25-16-7-8-18-15(9-16)11-24-26-18/h7-11,13-14,17H,3-6,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyHDMIXUZKPWZRNL-UHFFFAOYSA-N
XLogP4.01
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182913) is 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1.
What is the InChIKey of 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is HDMIXUZKPWZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14(2)12-27(17-5-3-4-6-17)20-10-19(22-13-23-20)21(28)25-16-7-8-18-15(9-16)11-24-26-18/h7-11,13-14,17H,3-6,12H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).