2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine

C36H41N11 — CID 140978874

IUPAC2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine
SMILESc1ccc(C2=C(N3CCCCC3)C(c3ncccn3)=C(c3cccnn3)C(c3cnccn3)C2(N2CCCC2)N2CCNCC2)nc1
InChIInChI=1S/C36H41N11/c1-4-20-45(21-5-1)34-31(35-41-13-9-14-42-35)30(27-11-8-15-43-44-27)32(29-26-38-16-17-40-29)36(46-22-6-7-23-46,47-24-18-37-19-25-47)33(34)28-10-2-3-12-39-28/h2-3,8-17,26,32,37H,1,4-7,18-25H2
InChIKeySQBSVTQSASDYDX-UHFFFAOYSA-N
MW627.80 g/mol
LogP3.75
Rot. Bonds7

About 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine

2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine (PubChem CID 140978874) has the molecular formula C36H41N11 and a molecular weight of 627.80 g/mol. Its IUPAC name is 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine.

Molecular Properties

Compound Name2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine
PubChem CID140978874
Molecular FormulaC36H41N11
Molecular Weight627.80 g/mol
Exact Mass627.35
IUPAC Name2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine
SMILESc1ccc(C2=C(N3CCCCC3)C(c3ncccn3)=C(c3cccnn3)C(c3cnccn3)C2(N2CCCC2)N2CCNCC2)nc1
InChIInChI=1S/C36H41N11/c1-4-20-45(21-5-1)34-31(35-41-13-9-14-42-35)30(27-11-8-15-43-44-27)32(29-26-38-16-17-40-29)36(46-22-6-7-23-46,47-24-18-37-19-25-47)33(34)28-10-2-3-12-39-28/h2-3,8-17,26,32,37H,1,4-7,18-25H2
InChIKeySQBSVTQSASDYDX-UHFFFAOYSA-N
XLogP3.75
TPSA111.98 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
Tt-301
CID 54576073
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
N-methyl-6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 11664023
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
6-(6-Ethynylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 89914096
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505

Frequently Asked Questions

What is the IUPAC name of 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine?
The IUPAC name of 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine (CID 140978874) is 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine.
What is the SMILES notation for 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine?
The canonical SMILES for 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine is c1ccc(C2=C(N3CCCCC3)C(c3ncccn3)=C(c3cccnn3)C(c3cnccn3)C2(N2CCCC2)N2CCNCC2)nc1.
What is the InChIKey of 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine?
The InChIKey is SQBSVTQSASDYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N11/c1-4-20-45(21-5-1)34-31(35-41-13-9-14-42-35)30(27-11-8-15-43-44-27)32(29-26-38-16-17-40-29)36(46-22-6-7-23-46,47-24-18-37-19-25-47)33(34)28-10-2-3-12-39-28/h2-3,8-17,26,32,37H,1,4-7,18-25H2.
What are the key properties of 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine?
2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine has a molecular weight of 627.80 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperazin-1-yl-4-piperidin-1-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)pyrazine is sourced from PubChem (CID 140978874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).