N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H18FN5O — CID 171835103

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)[nH]c2n1
InChIInChI=1S/C21H18FN5O/c1-12-16(11-23-27-12)17-7-2-13-10-18(25-19(13)24-17)20(28)26-21(8-9-21)14-3-5-15(22)6-4-14/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,25)(H,26,28)
InChIKeyVCIXLBQVTMZDIW-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.82
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 171835103) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID171835103
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)[nH]c2n1
InChIInChI=1S/C21H18FN5O/c1-12-16(11-23-27-12)17-7-2-13-10-18(25-19(13)24-17)20(28)26-21(8-9-21)14-3-5-15(22)6-4-14/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,25)(H,26,28)
InChIKeyVCIXLBQVTMZDIW-UHFFFAOYSA-N
XLogP3.82
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 171835103) is N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1[nH]ncc1-c1ccc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)[nH]c2n1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VCIXLBQVTMZDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-12-16(11-23-27-12)17-7-2-13-10-18(25-19(13)24-17)20(28)26-21(8-9-21)14-3-5-15(22)6-4-14/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,25)(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171835103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).