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

C19H22N6O2 — CID 25182934

IUPAC6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXZGQKWWODUUERO-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.47
Rot. Bonds8

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

6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182934) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182934
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXZGQKWWODUUERO-UHFFFAOYSA-N
XLogP2.47
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182934) is 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is XZGQKWWODUUERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).