trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C24H24N6O2 — CID 135345455

IUPACtrans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1
InChIInChI=1S/C24H24N6O2/c1-13-4-5-16(32-3)8-17(13)21-6-14-7-22(26-11-20(14)23(25)28-21)29-24(31)19-9-18(19)15-10-27-30(2)12-15/h4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t18-,19+/m1/s1
InChIKeyORSYDWPQIDWHET-MOPGFXCFSA-N
MW428.50 g/mol
LogP3.67
Rot. Bonds5

About trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345455) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345455
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1
InChIInChI=1S/C24H24N6O2/c1-13-4-5-16(32-3)8-17(13)21-6-14-7-22(26-11-20(14)23(25)28-21)29-24(31)19-9-18(19)15-10-27-30(2)12-15/h4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t18-,19+/m1/s1
InChIKeyORSYDWPQIDWHET-MOPGFXCFSA-N
XLogP3.67
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345455) is trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ORSYDWPQIDWHET-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-13-4-5-16(32-3)8-17(13)21-6-14-7-22(26-11-20(14)23(25)28-21)29-24(31)19-9-18(19)15-10-27-30(2)12-15/h4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).