6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C18H20N6O — CID 25182765

IUPAC6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H20N6O/c25-18(23-14-6-7-15-12(8-14)10-21-24-15)16-9-17(20-11-19-16)22-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,24)(H,23,25)(H,19,20,22)
InChIKeyUGDQLQZVEPFUKQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.35
Rot. Bonds4

About 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182765) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182765
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H20N6O/c25-18(23-14-6-7-15-12(8-14)10-21-24-15)16-9-17(20-11-19-16)22-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,24)(H,23,25)(H,19,20,22)
InChIKeyUGDQLQZVEPFUKQ-UHFFFAOYSA-N
XLogP3.35
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182765) is 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is UGDQLQZVEPFUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(23-14-6-7-15-12(8-14)10-21-24-15)16-9-17(20-11-19-16)22-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,24)(H,23,25)(H,19,20,22).
What are the key properties of 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).