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

C21H26N6O2 — CID 174694670

IUPACN-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOCCN(c1cc2[nH]ncc2cc1NC(=O)c1ccncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-29-10-9-27(16-5-3-2-4-6-16)20-12-18-15(13-24-26-18)11-19(20)25-21(28)17-7-8-22-14-23-17/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyNCHLVTWUWNGQOQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.39
Rot. Bonds7

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

N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide (PubChem CID 174694670) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide
PubChem CID174694670
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOCCN(c1cc2[nH]ncc2cc1NC(=O)c1ccncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-29-10-9-27(16-5-3-2-4-6-16)20-12-18-15(13-24-26-18)11-19(20)25-21(28)17-7-8-22-14-23-17/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyNCHLVTWUWNGQOQ-UHFFFAOYSA-N
XLogP3.39
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide (CID 174694670) is N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide is COCCN(c1cc2[nH]ncc2cc1NC(=O)c1ccncn1)C1CCCCC1.
What is the InChIKey of N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is NCHLVTWUWNGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-29-10-9-27(16-5-3-2-4-6-16)20-12-18-15(13-24-26-18)11-19(20)25-21(28)17-7-8-22-14-23-17/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide?
N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclohexyl(2-methoxyethyl)amino]-1H-indazol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 174694670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).