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

C21H26N6O2 — CID 25182916

IUPAC6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-29-10-9-27(17-5-3-2-4-6-17)20-12-19(22-14-23-20)21(28)25-16-7-8-18-15(11-16)13-24-26-18/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyYQSGSRMFIFYPSJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.39
Rot. Bonds7

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

6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182916) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182916
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-29-10-9-27(17-5-3-2-4-6-17)20-12-19(22-14-23-20)21(28)25-16-7-8-18-15(11-16)13-24-26-18/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyYQSGSRMFIFYPSJ-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 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182916) is 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is YQSGSRMFIFYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-29-10-9-27(17-5-3-2-4-6-17)20-12-19(22-14-23-20)21(28)25-16-7-8-18-15(11-16)13-24-26-18/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclohexyl(2-methoxyethyl)amino]-N-(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 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).