5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide

C28H32N4O — CID 155542096

IUPAC5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@@H]4C[C@H](C)CC[C@H]4C(C)C)nn23)cc1
InChIInChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1
InChIKeyIZSDEDGOBWTLJU-NHCICSSKSA-N
MW440.59 g/mol
LogP6.05
Rot. Bonds4

About 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide

5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide (PubChem CID 155542096) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
PubChem CID155542096
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@@H]4C[C@H](C)CC[C@H]4C(C)C)nn23)cc1
InChIInChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1
InChIKeyIZSDEDGOBWTLJU-NHCICSSKSA-N
XLogP6.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide (CID 155542096) is 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide is Cc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@@H]4C[C@H](C)CC[C@H]4C(C)C)nn23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The InChIKey is IZSDEDGOBWTLJU-NHCICSSKSA-N. The full InChI is InChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1.
What are the key properties of 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155542096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).