2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide

C19H14Cl2N4O — CID 165391854

IUPAC2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide
SMILESCn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N4O/c1-25-16(11-4-6-23-19-12(11)5-7-24-19)9-14(18(22)26)17(25)13-3-2-10(20)8-15(13)21/h2-9H,1H3,(H2,22,26)(H,23,24)
InChIKeySKFGHECPXPZXPO-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.64
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide

2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide (PubChem CID 165391854) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide
PubChem CID165391854
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide
SMILESCn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N4O/c1-25-16(11-4-6-23-19-12(11)5-7-24-19)9-14(18(22)26)17(25)13-3-2-10(20)8-15(13)21/h2-9H,1H3,(H2,22,26)(H,23,24)
InChIKeySKFGHECPXPZXPO-UHFFFAOYSA-N
XLogP4.64
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634
1-(5-chloro-2-methylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73056517
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73057443
2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 153307444
JAK1 inhibitor 38a
CID 155757100
4-[[(2R,4R)-1-[(4-chlorophenyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162659181
4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 132451818
3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 10001523
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 10178250
[1-(4-Chloro-benzyl)-1h-indol-3-yl]-(4-pyridin-2-yl-1h-imidazol-2-yl)-methanone
CID 12146870
1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
CID 22022397

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide (CID 165391854) is 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide is Cn1c(-c2ccnc3[nH]ccc23)cc(C(N)=O)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide?
The InChIKey is SKFGHECPXPZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c1-25-16(11-4-6-23-19-12(11)5-7-24-19)9-14(18(22)26)17(25)13-3-2-10(20)8-15(13)21/h2-9H,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide?
2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 165391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).