cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

C55H69N11O4 — CID 159461374

IUPACcyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cc23)CC1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCNCC5)cc4)cc23)CC1
InChIInChI=1S/C28H35N5O2.C27H34N6O2/c34-28(23-4-5-23)32-16-14-31(15-17-32)26-10-11-29-33-21-24(20-27(26)33)22-6-8-25(9-7-22)35-19-18-30-12-2-1-3-13-30;34-27(22-1-2-22)32-15-13-31(14-16-32)25-7-8-29-33-20-23(19-26(25)33)21-3-5-24(6-4-21)35-18-17-30-11-9-28-10-12-30/h6-11,20-21,23H,1-5,12-19H2;3-8,19-20,22,28H,1-2,9-18H2
InChIKeyLUQCVFMQBWPZKT-UHFFFAOYSA-N
MW948.23 g/mol
LogP6.27
Rot. Bonds14

About cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone (PubChem CID 159461374) has the molecular formula C55H69N11O4 and a molecular weight of 948.23 g/mol. Its IUPAC name is cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
PubChem CID159461374
Molecular FormulaC55H69N11O4
Molecular Weight948.23 g/mol
Exact Mass947.55
IUPAC Namecyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cc23)CC1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCNCC5)cc4)cc23)CC1
InChIInChI=1S/C28H35N5O2.C27H34N6O2/c34-28(23-4-5-23)32-16-14-31(15-17-32)26-10-11-29-33-21-24(20-27(26)33)22-6-8-25(9-7-22)35-19-18-30-12-2-1-3-13-30;34-27(22-1-2-22)32-15-13-31(14-16-32)25-7-8-29-33-20-23(19-26(25)33)21-3-5-24(6-4-21)35-18-17-30-11-9-28-10-12-30/h6-11,20-21,23H,1-5,12-19H2;3-8,19-20,22,28H,1-2,9-18H2
InChIKeyLUQCVFMQBWPZKT-UHFFFAOYSA-N
XLogP6.27
TPSA118.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.23
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57402366
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-[2-[2-[2-[2-[[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57398875
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137033319
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137033397
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137033480
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137033903
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137034008
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137034010
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137034014
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137034313
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137034314
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137038381

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone (CID 159461374) is cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cc23)CC1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(OCCN5CCNCC5)cc4)cc23)CC1.
What is the InChIKey of cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone?
The InChIKey is LUQCVFMQBWPZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2.C27H34N6O2/c34-28(23-4-5-23)32-16-14-31(15-17-32)26-10-11-29-33-21-24(20-27(26)33)22-6-8-25(9-7-22)35-19-18-30-12-2-1-3-13-30;34-27(22-1-2-22)32-15-13-31(14-16-32)25-7-8-29-33-20-23(19-26(25)33)21-3-5-24(6-4-21)35-18-17-30-11-9-28-10-12-30/h6-11,20-21,23H,1-5,12-19H2;3-8,19-20,22,28H,1-2,9-18H2.
What are the key properties of cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone has a molecular weight of 948.23 g/mol, XLogP of 6.27, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 159461374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).