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

C23H32N6O2 — CID 143759072

IUPAC6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane
SMILESCC.COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2.C2H6/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;1-2/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28);1-2H3
InChIKeyBNNGDWQFZPTGDY-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.42
Rot. Bonds7

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

6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane (PubChem CID 143759072) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane.

Molecular Properties

Compound Name6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane
PubChem CID143759072
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane
SMILESCC.COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C21H26N6O2.C2H6/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;1-2/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28);1-2H3
InChIKeyBNNGDWQFZPTGDY-UHFFFAOYSA-N
XLogP4.42
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182901
N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}benzamide
CID 135909511
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28c
CID 5329251
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
4-N-(2-methoxyethyl)-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 165414970
3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 71456646
4-[(2-chloroquinazolin-4-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 137634942
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137641846
6-(cyclohexylamino)-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182765

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane?
The IUPAC name of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane (CID 143759072) is 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane.
What is the SMILES notation for 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane?
The canonical SMILES for 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane is CC.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;ethane?
The InChIKey is BNNGDWQFZPTGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.C2H6/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;1-2/h7-8,11-14,17H,2-6,9-10H2,1H3,(H,24,26)(H,25,28);1-2H3.
What are the key properties of 6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane?
6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane has a molecular weight of 424.55 g/mol, XLogP of 4.42, 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;ethane is sourced from PubChem (CID 143759072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).