(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C19H19Cl2N5O — CID 59977523

IUPAC(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc2ccncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N5O/c20-13-4-3-12(14(21)8-13)11-26-7-1-2-17(26)19(27)23-10-18-24-15-5-6-22-9-16(15)25-18/h3-6,8-9,17H,1-2,7,10-11H2,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyUVKAZGYWGKUENN-KRWDZBQOSA-N
MW404.30 g/mol
LogP3.55
Rot. Bonds5

About (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 59977523) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID59977523
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc2ccncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N5O/c20-13-4-3-12(14(21)8-13)11-26-7-1-2-17(26)19(27)23-10-18-24-15-5-6-22-9-16(15)25-18/h3-6,8-9,17H,1-2,7,10-11H2,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyUVKAZGYWGKUENN-KRWDZBQOSA-N
XLogP3.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 59977523) is (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1nc2ccncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UVKAZGYWGKUENN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c20-13-4-3-12(14(21)8-13)11-26-7-1-2-17(26)19(27)23-10-18-24-15-5-6-22-9-16(15)25-18/h3-6,8-9,17H,1-2,7,10-11H2,(H,23,27)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59977523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).