6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide

C19H22N6O — CID 59446893

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1
InChIInChI=1S/C19H22N6O/c1-2-8-25(11-13-6-7-13)18-9-17(20-12-21-18)19(26)23-15-4-3-5-16-14(15)10-22-24-16/h3-5,9-10,12-13H,2,6-8,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyLPNHMIIJQRPWIS-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.23
Rot. Bonds7

About 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide

6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 59446893) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide
PubChem CID59446893
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1
InChIInChI=1S/C19H22N6O/c1-2-8-25(11-13-6-7-13)18-9-17(20-12-21-18)19(26)23-15-4-3-5-16-14(15)10-22-24-16/h3-5,9-10,12-13H,2,6-8,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyLPNHMIIJQRPWIS-UHFFFAOYSA-N
XLogP3.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-3-phenyl-2-[(1S)-1-[[5-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73776931
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CID 165415043
4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
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1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide (CID 59446893) is 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is LPNHMIIJQRPWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-8-25(11-13-6-7-13)18-9-17(20-12-21-18)19(26)23-15-4-3-5-16-14(15)10-22-24-16/h3-5,9-10,12-13H,2,6-8,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59446893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).