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5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide

C28H30N4O — CID 155516555

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@H]4C5(C)CCC(C5)C4(C)C)nn23)cc1
InChIInChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1
InChIKeyGSERLXWNMBYDRB-YKJBCWCOSA-N
MW438.58 g/mol
LogP5.80
Rot. Bonds3

About 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide

5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide (PubChem CID 155516555) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
PubChem CID155516555
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@H]4C5(C)CCC(C5)C4(C)C)nn23)cc1
InChIInChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1
InChIKeyGSERLXWNMBYDRB-YKJBCWCOSA-N
XLogP5.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide (CID 155516555) is 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide is Cc1ccc(-c2cc3ncccc3c3cc(C(=O)N[C@H]4C5(C)CCC(C5)C4(C)C)nn23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
The InChIKey is GSERLXWNMBYDRB-YKJBCWCOSA-N. The full InChI is InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1.
What are the key properties of 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide?
5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155516555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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