N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide

C21H20FN5O — CID 110245309

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1c(-c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C21H20FN5O/c1-13-20(14(2)26-25-13)24-19(28)9-11-27-18(15-5-7-17(22)8-6-15)12-16-4-3-10-23-21(16)27/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyWEFNORMVJPXDHF-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.21
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 110245309) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID110245309
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1c(-c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C21H20FN5O/c1-13-20(14(2)26-25-13)24-19(28)9-11-27-18(15-5-7-17(22)8-6-15)12-16-4-3-10-23-21(16)27/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyWEFNORMVJPXDHF-UHFFFAOYSA-N
XLogP4.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
CID 46965507
N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 51502985
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CID 92558915
N-cyclopropyl-3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 95849530
2-fluoro-N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]benzamide;hydrochloride
CID 171700035
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 46965776
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 92582721
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 110245309) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is Cc1n[nH]c(C)c1NC(=O)CCn1c(-c2ccc(F)cc2)cc2cccnc21.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is WEFNORMVJPXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-13-20(14(2)26-25-13)24-19(28)9-11-27-18(15-5-7-17(22)8-6-15)12-16-4-3-10-23-21(16)27/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 110245309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).