N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide

C22H17F2N5O — CID 153475119

IUPACN-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(-c4ncccc4F)cnc3c2)c1)N1CCC1
InChIInChI=1S/C22H17F2N5O/c23-17-5-4-16(27-22(30)28-7-2-8-28)10-20(17)29-12-15-9-14(11-26-19(15)13-29)21-18(24)3-1-6-25-21/h1,3-6,9-13H,2,7-8H2,(H,27,30)
InChIKeyCMCAHWGEVBIDAP-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.60
Rot. Bonds3

About N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide

N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide (PubChem CID 153475119) has the molecular formula C22H17F2N5O and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide
PubChem CID153475119
Molecular FormulaC22H17F2N5O
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(-c4ncccc4F)cnc3c2)c1)N1CCC1
InChIInChI=1S/C22H17F2N5O/c23-17-5-4-16(27-22(30)28-7-2-8-28)10-20(17)29-12-15-9-14(11-26-19(15)13-29)21-18(24)3-1-6-25-21/h1,3-6,9-13H,2,7-8H2,(H,27,30)
InChIKeyCMCAHWGEVBIDAP-UHFFFAOYSA-N
XLogP4.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-[5-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 167133598
N-[4-chloro-3-(5-pyridin-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]azetidine-1-carboxamide
CID 151976993
N-[4-fluoro-3-[5-(2-methylpropyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 137352878
N-[3-(5-cyclopropylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]azetidine-1-carboxamide
CID 142486932
N-[4-fluoro-3-[5-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 142487092
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-[3-[5-(cyclobutylmethyl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]azetidine-1-carboxamide
CID 142487124
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[3-[5-(azetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487125
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-[4-fluoro-3-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 137352273
N-(3-chloro-4-fluorophenyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068196

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide (CID 153475119) is N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(F)c(-n2cc3cc(-c4ncccc4F)cnc3c2)c1)N1CCC1.
What is the InChIKey of N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide?
The InChIKey is CMCAHWGEVBIDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O/c23-17-5-4-16(27-22(30)28-7-2-8-28)10-20(17)29-12-15-9-14(11-26-19(15)13-29)21-18(24)3-1-6-25-21/h1,3-6,9-13H,2,7-8H2,(H,27,30).
What are the key properties of N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide?
N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-(3-fluoro-2-pyridinyl)pyrrolo[3,4-b]pyridin-6-yl]phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 153475119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).