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

C22H19ClN6O — CID 135345041

IUPACtrans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4ccccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C22H19ClN6O/c1-29-11-13(9-26-29)15-8-16(15)22(30)28-20-7-12-6-19(14-4-2-3-5-18(14)23)27-21(24)17(12)10-25-20/h2-7,9-11,15-16H,8H2,1H3,(H2,24,27)(H,25,28,30)/t15-,16+/m0/s1
InChIKeyGGRFKBROCRKDCN-JKSUJKDBSA-N
MW418.89 g/mol
LogP4.01
Rot. Bonds4

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

trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345041) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345041
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4ccccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C22H19ClN6O/c1-29-11-13(9-26-29)15-8-16(15)22(30)28-20-7-12-6-19(14-4-2-3-5-18(14)23)27-21(24)17(12)10-25-20/h2-7,9-11,15-16H,8H2,1H3,(H2,24,27)(H,25,28,30)/t15-,16+/m0/s1
InChIKeyGGRFKBROCRKDCN-JKSUJKDBSA-N
XLogP4.01
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345041) is trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-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-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4ccccc4Cl)nc(N)c3cn2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GGRFKBROCRKDCN-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H19ClN6O/c1-29-11-13(9-26-29)15-8-16(15)22(30)28-20-7-12-6-19(14-4-2-3-5-18(14)23)27-21(24)17(12)10-25-20/h2-7,9-11,15-16H,8H2,1H3,(H2,24,27)(H,25,28,30)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 418.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(2-chlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).