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

C23H22N6O — CID 135345250

IUPACtrans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H22N6O/c1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t17-,18+/m1/s1
InChIKeyUTDCAQUXBNLDCF-MSOLQXFVSA-N
MW398.47 g/mol
LogP3.66
Rot. Bonds4

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

trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345250) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(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-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345250
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H22N6O/c1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t17-,18+/m1/s1
InChIKeyUTDCAQUXBNLDCF-MSOLQXFVSA-N
XLogP3.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 132056570
CID 132056570
CID 86303027
CID 86303027
CID 118660806
CID 118660806
CID 135342628
CID 135342628
CID 135345433
CID 135345433
CID 25138073
CID 25138073
CID 25138074
CID 25138074
CID 146014962
CID 146014962
CID 122234475
CID 122234475
CID 15945723
CID 15945723
CID 10386973
CID 10386973
CID 25065894
CID 25065894

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(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-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345250) is trans-(1S,2S)-N-[8-amino-6-(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-(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-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is UTDCAQUXBNLDCF-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H22N6O/c1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).