N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide

C21H18ClN3O2 — CID 159699872

IUPACN-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESCCCc1cnc2c(c1)CC(c1cc(NC(=O)c3ccco3)ccc1Cl)=N2
InChIInChI=1S/C21H18ClN3O2/c1-2-4-13-9-14-10-18(25-20(14)23-12-13)16-11-15(6-7-17(16)22)24-21(26)19-5-3-8-27-19/h3,5-9,11-12H,2,4,10H2,1H3,(H,24,26)
InChIKeyMXMGFLKHMPLAAT-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.21
Rot. Bonds5

About N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide

N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 159699872) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID159699872
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESCCCc1cnc2c(c1)CC(c1cc(NC(=O)c3ccco3)ccc1Cl)=N2
InChIInChI=1S/C21H18ClN3O2/c1-2-4-13-9-14-10-18(25-20(14)23-12-13)16-11-15(6-7-17(16)22)24-21(26)19-5-3-8-27-19/h3,5-9,11-12H,2,4,10H2,1H3,(H,24,26)
InChIKeyMXMGFLKHMPLAAT-UHFFFAOYSA-N
XLogP5.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[5-[2-(3,3-dimethylcyclobutyl)-2-oxoethyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 158801294
N-[4-chloro-3-[5-[4-(2-oxobutyl)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 161286721
N-[4-chloro-3-[5-[4-(4-methyl-2-oxopentyl)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 159662439
N-[4-chloro-3-[5-[4-(2-pyrazol-1-ylethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 161494375
N-[4-chloro-3-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 153214130
2,5-dichloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 147408240
3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 162037501
2-chloro-N-[4-chloro-3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]benzamide
CID 161444002
ethyl N-[4-chloro-3-[5-(4-ethylphenyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]carbamate
CID 162107812
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
CID 159861957
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
CID 158505438
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162219096

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 159699872) is N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide is CCCc1cnc2c(c1)CC(c1cc(NC(=O)c3ccco3)ccc1Cl)=N2.
What is the InChIKey of N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is MXMGFLKHMPLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-2-4-13-9-14-10-18(25-20(14)23-12-13)16-11-15(6-7-17(16)22)24-21(26)19-5-3-8-27-19/h3,5-9,11-12H,2,4,10H2,1H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 159699872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).