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

C23H28N6O — CID 25182901

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H28N6O/c1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18/h9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30)
InChIKeyYYDJCLCSBYCSCO-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.46
Rot. Bonds6

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

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182901) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182901
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H28N6O/c1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18/h9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30)
InChIKeyYYDJCLCSBYCSCO-UHFFFAOYSA-N
XLogP4.46
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
Syk-IN-4
CID 154573768
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-({4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138045
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
Rock2-IN-6
CID 137387245
5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162667024
5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide
CID 162673142
4-Methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400177
4-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-(1H-pyrazol-5-yl)benzamide
CID 23400179
6-(cyclohexylamino)-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182765
6-[cyclohexyl(methyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182770

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182901) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is YYDJCLCSBYCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18/h9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).