trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C23H22ClN7O2 — CID 135345242

IUPACtrans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m1/s1
InChIKeyFUHXLRIFVDZOQM-ZBFHGGJFSA-N
MW463.93 g/mol
LogP2.94
Rot. Bonds6

About trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345242) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345242
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Nametrans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m1/s1
InChIKeyFUHXLRIFVDZOQM-ZBFHGGJFSA-N
XLogP2.94
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345242) is trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-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-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FUHXLRIFVDZOQM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)/t14-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).