6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C19H22N6O — CID 25182899

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyHAKUBDUVAGUCGC-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.23
Rot. Bonds7

About 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182899) 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-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182899
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyHAKUBDUVAGUCGC-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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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182899) is 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is HAKUBDUVAGUCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-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-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).