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

C23H22N6O2 — CID 135344900

IUPACtrans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(O)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H22N6O2/c1-12-3-4-15(30)7-16(12)20-5-13-6-21(25-10-19(13)22(24)27-20)28-23(31)18-8-17(18)14-9-26-29(2)11-14/h3-7,9-11,17-18,30H,8H2,1-2H3,(H2,24,27)(H,25,28,31)/t17-,18+/m0/s1
InChIKeyHPJXSTKOZQAULW-ZWKOTPCHSA-N
MW414.47 g/mol
LogP3.37
Rot. Bonds4

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

trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344900) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344900
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(O)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H22N6O2/c1-12-3-4-15(30)7-16(12)20-5-13-6-21(25-10-19(13)22(24)27-20)28-23(31)18-8-17(18)14-9-26-29(2)11-14/h3-7,9-11,17-18,30H,8H2,1-2H3,(H2,24,27)(H,25,28,31)/t17-,18+/m0/s1
InChIKeyHPJXSTKOZQAULW-ZWKOTPCHSA-N
XLogP3.37
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344900) is trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-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-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccc(O)cc1-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-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is HPJXSTKOZQAULW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-12-3-4-15(30)7-16(12)20-5-13-6-21(25-10-19(13)22(24)27-20)28-23(31)18-8-17(18)14-9-26-29(2)11-14/h3-7,9-11,17-18,30H,8H2,1-2H3,(H2,24,27)(H,25,28,31)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).