2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C24H28FN7O — CID 135186287

IUPAC2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1)N1CCCC1
InChIInChI=1S/C24H28FN7O/c25-18-3-6-20-21(14-18)32(19-4-5-19)24(27-20)17-13-22(28-26-15-17)30-11-9-29(10-12-30)16-23(33)31-7-1-2-8-31/h3,6,13-15,19H,1-2,4-5,7-12,16H2
InChIKeyVYJRXFDYVONHSH-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 135186287) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID135186287
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1)N1CCCC1
InChIInChI=1S/C24H28FN7O/c25-18-3-6-20-21(14-18)32(19-4-5-19)24(27-20)17-13-22(28-26-15-17)30-11-9-29(10-12-30)16-23(33)31-7-1-2-8-31/h3,6,13-15,19H,1-2,4-5,7-12,16H2
InChIKeyVYJRXFDYVONHSH-UHFFFAOYSA-N
XLogP2.71
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

Tizaterkib
CID 129116690
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
4-Acetyl-1-(3-{4-Amino-5-[1-(2,2,2-Trifluoroethyl)-1h-Pyrazol-5-Yl]pyrrolo[2,1-F][1,2,4]triazin-7-Yl}phenyl)-3,3-Dimethylpiperazin-2-One
CID 127053611
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[3,2-b]pyridin-6-yl]acetamide
CID 70684312
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
CID 127051445
4-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-2-one
CID 10227095
3-(1-Ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
CID 25192363
N-(5-(4-(cyclopropylamino)-1-methyl-1H-pyrazolo[5,1-b]purin-7-yl)-2-fluorobenzyl)acetamide
CID 44573281
Antihistamine-1
CID 45272895

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 135186287) is 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VYJRXFDYVONHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c25-18-3-6-20-21(14-18)32(19-4-5-19)24(27-20)17-13-22(28-26-15-17)30-11-9-29(10-12-30)16-23(33)31-7-1-2-8-31/h3,6,13-15,19H,1-2,4-5,7-12,16H2.
What are the key properties of 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 449.53 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 135186287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).