2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H16ClN5O — CID 121431841

IUPAC2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCc1ccc(-c2c(-c3ccnc(NC(=O)CCl)c3)[nH]c3cccnc23)cn1
InChIInChI=1S/C20H16ClN5O/c1-12-4-5-14(11-24-12)18-19(25-15-3-2-7-23-20(15)18)13-6-8-22-16(9-13)26-17(27)10-21/h2-9,11,25H,10H2,1H3,(H,22,26,27)
InChIKeySFUMLGVZPSDZFA-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.17
Rot. Bonds4

About 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121431841) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121431841
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCc1ccc(-c2c(-c3ccnc(NC(=O)CCl)c3)[nH]c3cccnc23)cn1
InChIInChI=1S/C20H16ClN5O/c1-12-4-5-14(11-24-12)18-19(25-15-3-2-7-23-20(15)18)13-6-8-22-16(9-13)26-17(27)10-21/h2-9,11,25H,10H2,1H3,(H,22,26,27)
InChIKeySFUMLGVZPSDZFA-UHFFFAOYSA-N
XLogP4.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-methylpyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431775
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate
CID 121412121
N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412061
N-[4-(3-quinolin-8-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 121411797
2-(1,3-oxazol-5-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 169116046
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol dichloride
CID 56946960
2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 169116040
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol;hydrochloride
CID 172873220
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 169116054
2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687627
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121431841) is 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is Cc1ccc(-c2c(-c3ccnc(NC(=O)CCl)c3)[nH]c3cccnc23)cn1.
What is the InChIKey of 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is SFUMLGVZPSDZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-12-4-5-14(11-24-12)18-19(25-15-3-2-7-23-20(15)18)13-6-8-22-16(9-13)26-17(27)10-21/h2-9,11,25H,10H2,1H3,(H,22,26,27).
What are the key properties of 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 377.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121431841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).