ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

C27H39N7O2 — CID 145385202

IUPACethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCCNC5)cn4)cc23)CC1.CCO
InChIInChI=1S/C25H33N7O.C2H6O/c1-18(2)29-25(33)31-12-10-30(11-13-31)23-7-9-28-32-17-21(14-24(23)32)22-6-5-20(16-27-22)19-4-3-8-26-15-19;1-2-3/h5-7,9,14,16-19,26H,3-4,8,10-13,15H2,1-2H3,(H,29,33);3H,2H2,1H3
InChIKeySJIUBWXDRYLTSK-UHFFFAOYSA-N
MW493.66 g/mol
LogP3.10
Rot. Bonds4

About ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 145385202) has the molecular formula C27H39N7O2 and a molecular weight of 493.66 g/mol. Its IUPAC name is ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Nameethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID145385202
Molecular FormulaC27H39N7O2
Molecular Weight493.66 g/mol
Exact Mass493.32
IUPAC Nameethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCCNC5)cn4)cc23)CC1.CCO
InChIInChI=1S/C25H33N7O.C2H6O/c1-18(2)29-25(33)31-12-10-30(11-13-31)23-7-9-28-32-17-21(14-24(23)32)22-6-5-20(16-27-22)19-4-3-8-26-15-19;1-2-3/h5-7,9,14,16-19,26H,3-4,8,10-13,15H2,1-2H3,(H,29,33);3H,2H2,1H3
InChIKeySJIUBWXDRYLTSK-UHFFFAOYSA-N
XLogP3.10
TPSA98.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-4-[6-[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxamide
CID 145385126
ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 145385148
[3-[4-[6-[5-[4-methoxy-1-[(2S)-1-methoxypropan-2-yl]piperidin-4-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carbonyl]cyclobutyl]-methylidyneazanium
CID 148745259
4-[6-[4-methyl-4-[(3R)-1-propan-2-ylpyrrolidin-3-yl]cyclohexa-1,5-dien-1-yl]pyrrolo[1,2-b]pyridazin-4-yl]-N-propylpiperazine-1-carboxamide
CID 146343531
oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
CID 145385145
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[3-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97192779
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide
CID 167866370
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397

Frequently Asked Questions

What is the IUPAC name of ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 145385202) is ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCCNC5)cn4)cc23)CC1.CCO.
What is the InChIKey of ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is SJIUBWXDRYLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O.C2H6O/c1-18(2)29-25(33)31-12-10-30(11-13-31)23-7-9-28-32-17-21(14-24(23)32)22-6-5-20(16-27-22)19-4-3-8-26-15-19;1-2-3/h5-7,9,14,16-19,26H,3-4,8,10-13,15H2,1-2H3,(H,29,33);3H,2H2,1H3.
What are the key properties of ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 493.66 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 145385202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).