2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

C22H29N5O — CID 167289046

IUPAC2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCCC(C)N1CCN(c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-3-15(2)26-8-10-27(11-9-26)19-12-16(4-7-23-19)18-13-17-20(25-18)22(5-6-22)14-24-21(17)28/h4,7,12-13,15,25H,3,5-6,8-11,14H2,1-2H3,(H,24,28)
InChIKeyBFKGORVPHPILNN-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.77
Rot. Bonds4

About 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (PubChem CID 167289046) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
PubChem CID167289046
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCCC(C)N1CCN(c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-3-15(2)26-8-10-27(11-9-26)19-12-16(4-7-23-19)18-13-17-20(25-18)22(5-6-22)14-24-21(17)28/h4,7,12-13,15,25H,3,5-6,8-11,14H2,1-2H3,(H,24,28)
InChIKeyBFKGORVPHPILNN-UHFFFAOYSA-N
XLogP2.77
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one with MolForge

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Related Compounds

2-[2-(6-piperazin-1-yl-3-pyridinyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 166461394
2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 166461885
2-[2-(4-methylphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 170262730
2-[2-(4-piperazin-1-ylphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 166461748
2-[2-(2-fluoro-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
CID 166461704
2-[2-(4-ethylphenyl)-5-methylpyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 171838332
2-[2-(4-piperazin-1-ylphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
CID 166461451
N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide
CID 86302141
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 57393462
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 56835141
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
CID 57395186
7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 69181090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The IUPAC name of 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (CID 167289046) is 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.
What is the SMILES notation for 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The canonical SMILES for 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is CCC(C)N1CCN(c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)CC1.
What is the InChIKey of 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The InChIKey is BFKGORVPHPILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-15(2)26-8-10-27(11-9-26)19-12-16(4-7-23-19)18-13-17-20(25-18)22(5-6-22)14-24-21(17)28/h4,7,12-13,15,25H,3,5-6,8-11,14H2,1-2H3,(H,24,28).
What are the key properties of 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one has a molecular weight of 379.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 167289046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).