trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide

C25H22ClN5O2 — CID 165133259

IUPACtrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nccnc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClN5O2/c26-18-3-1-2-16(10-18)20-11-21(20)24(32)30-23-25(28-9-8-27-23)33-14-19-13-31-12-17(15-4-5-15)6-7-22(31)29-19/h1-3,6-10,12-13,15,20-21H,4-5,11,14H2,(H,27,30,32)/t20-,21+/m1/s1
InChIKeyIBOJOCJOAMGDMY-RTWAWAEBSA-N
MW459.94 g/mol
LogP4.98
Rot. Bonds7

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 165133259) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide
PubChem CID165133259
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nccnc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClN5O2/c26-18-3-1-2-16(10-18)20-11-21(20)24(32)30-23-25(28-9-8-27-23)33-14-19-13-31-12-17(15-4-5-15)6-7-22(31)29-19/h1-3,6-10,12-13,15,20-21H,4-5,11,14H2,(H,27,30,32)/t20-,21+/m1/s1
InChIKeyIBOJOCJOAMGDMY-RTWAWAEBSA-N
XLogP4.98
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-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)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide (CID 165133259) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nccnc1OCc1cn2cc(C3CC3)ccc2n1)[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is IBOJOCJOAMGDMY-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-18-3-1-2-16(10-18)20-11-21(20)24(32)30-23-25(28-9-8-27-23)33-14-19-13-31-12-17(15-4-5-15)6-7-22(31)29-19/h1-3,6-10,12-13,15,20-21H,4-5,11,14H2,(H,27,30,32)/t20-,21+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165133259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).