trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C22H21N5O3 — CID 139468868

IUPACtrans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4C)ncc3c(N)n1)C(O)C(=O)N2
InChIInChI=1S/C22H21N5O3/c1-9-3-13(9)21(29)27-18-6-11-5-17(25-20(23)15(11)8-24-18)12-7-14-16(4-10(12)2)26-22(30)19(14)28/h4-9,13,19,28H,3H2,1-2H3,(H2,23,25)(H,26,30)(H,24,27,29)/t9-,13-,19?/m0/s1
InChIKeyXZGHXSFILBRREK-OWGIDSFFSA-N
MW403.44 g/mol
LogP2.77
Rot. Bonds3

About trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 139468868) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID139468868
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4C)ncc3c(N)n1)C(O)C(=O)N2
InChIInChI=1S/C22H21N5O3/c1-9-3-13(9)21(29)27-18-6-11-5-17(25-20(23)15(11)8-24-18)12-7-14-16(4-10(12)2)26-22(30)19(14)28/h4-9,13,19,28H,3H2,1-2H3,(H2,23,25)(H,26,30)(H,24,27,29)/t9-,13-,19?/m0/s1
InChIKeyXZGHXSFILBRREK-OWGIDSFFSA-N
XLogP2.77
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-[6-[(1R)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411327
N-[7-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411328
N-(7-(6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095262
N-[7-[5-(hydroxymethyl)-2-methylphenyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71114966
N-[7-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115036
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115049
(2S)-2-fluoro-N-[7-[2-[(1R)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71128091
(2S)-2-fluoro-N-[7-[2-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71128094
N-(7-(5-(hydroxymethyl)-2-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974857
N-[7-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115082
cis-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridyl]-3-isoquinolyl]-2-fluoro-cyclopropane-1-carboxamide
CID 135343386
cis-N-(8-amino-6-(4-ethyl-6-(hydroxymethyl)pyridin-3-yl)isoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135343508

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 139468868) is trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4C)ncc3c(N)n1)C(O)C(=O)N2.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XZGHXSFILBRREK-OWGIDSFFSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-9-3-13(9)21(29)27-18-6-11-5-17(25-20(23)15(11)8-24-18)12-7-14-16(4-10(12)2)26-22(30)19(14)28/h4-9,13,19,28H,3H2,1-2H3,(H2,23,25)(H,26,30)(H,24,27,29)/t9-,13-,19?/m0/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 139468868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).