N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide

C23H21FN4O — CID 142580347

IUPACN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C23H21FN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29)
InChIKeyVSJBDADYVIIWST-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.37
Rot. Bonds4

About N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide (PubChem CID 142580347) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
PubChem CID142580347
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C23H21FN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29)
InChIKeyVSJBDADYVIIWST-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide (CID 142580347) is N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1.
What is the InChIKey of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The InChIKey is VSJBDADYVIIWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 142580347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).