ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate

C27H35N5O2 — CID 145385148

IUPACethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cc4)cc23)CC1
InChIInChI=1S/C27H35N5O2/c1-4-34-27(33)30-15-13-29(14-16-30)25-9-11-28-32-19-24(17-26(25)32)22-7-5-21(6-8-22)23-10-12-31(18-23)20(2)3/h5-9,11,17,19-20,23H,4,10,12-16,18H2,1-3H3
InChIKeyJUCOXOUWURGBHX-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.48
Rot. Bonds5

About ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate (PubChem CID 145385148) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
PubChem CID145385148
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Nameethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cc4)cc23)CC1
InChIInChI=1S/C27H35N5O2/c1-4-34-27(33)30-15-13-29(14-16-30)25-9-11-28-32-19-24(17-26(25)32)22-7-5-21(6-8-22)23-10-12-31(18-23)20(2)3/h5-9,11,17,19-20,23H,4,10,12-16,18H2,1-3H3
InChIKeyJUCOXOUWURGBHX-UHFFFAOYSA-N
XLogP4.48
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

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
tert-butyl 4-[6-[4-(2-iodo-1-propan-2-ylazetidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 174233267
ethyl carbonochloridate;ethyl 4-[6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrrolo[1,2-b]pyridazine;hydrochloride
CID 161305142
ethanamine;oxetan-3-yl 4-[6-[4-(2-hydroxyethyl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 145385147
ethanol;4-[6-(5-piperidin-3-yl-2-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 145385202
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
CID 145385145
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 46080879

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate (CID 145385148) is ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnn3cc(-c4ccc(C5CCN(C(C)C)C5)cc4)cc23)CC1.
What is the InChIKey of ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate?
The InChIKey is JUCOXOUWURGBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-4-34-27(33)30-15-13-29(14-16-30)25-9-11-28-32-19-24(17-26(25)32)22-7-5-21(6-8-22)23-10-12-31(18-23)20(2)3/h5-9,11,17,19-20,23H,4,10,12-16,18H2,1-3H3.
What are the key properties of ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate has a molecular weight of 461.61 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 145385148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).