trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C28H25N7O — CID 135345269

IUPACtrans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C28H25N7O/c1-16-8-9-30-26(17-6-4-3-5-7-17)25(16)23-10-18-11-24(31-14-22(18)27(29)33-23)34-28(36)21-12-20(21)19-13-32-35(2)15-19/h3-11,13-15,20-21H,12H2,1-2H3,(H2,29,33)(H,31,34,36)/t20-,21+/m0/s1
InChIKeyXXIYKUNWUZHKLD-LEWJYISDSA-N
MW475.56 g/mol
LogP4.73
Rot. Bonds5

About trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345269) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345269
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C28H25N7O/c1-16-8-9-30-26(17-6-4-3-5-7-17)25(16)23-10-18-11-24(31-14-22(18)27(29)33-23)34-28(36)21-12-20(21)19-13-32-35(2)15-19/h3-11,13-15,20-21H,12H2,1-2H3,(H2,29,33)(H,31,34,36)/t20-,21+/m0/s1
InChIKeyXXIYKUNWUZHKLD-LEWJYISDSA-N
XLogP4.73
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345269) is trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is XXIYKUNWUZHKLD-LEWJYISDSA-N. The full InChI is InChI=1S/C28H25N7O/c1-16-8-9-30-26(17-6-4-3-5-7-17)25(16)23-10-18-11-24(31-14-22(18)27(29)33-23)34-28(36)21-12-20(21)19-13-32-35(2)15-19/h3-11,13-15,20-21H,12H2,1-2H3,(H2,29,33)(H,31,34,36)/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(4-methyl-2-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).