2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine

C30H30N10 — CID 140985866

IUPAC2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine
SMILESc1ccc(C2(N3CCCC3)C(c3ccc[nH]3)CCN(c3cccnn3)C2(c2cnccn2)c2ncccn2)nc1
InChIInChI=1S/C30H30N10/c1-2-12-33-25(9-1)29(39-19-3-4-20-39)23(24-8-5-13-32-24)11-21-40(27-10-6-16-37-38-27)30(29,26-22-31-17-18-34-26)28-35-14-7-15-36-28/h1-2,5-10,12-18,22-23,32H,3-4,11,19-21H2
InChIKeyVHFQBBTZBDTVEJ-UHFFFAOYSA-N
MW530.64 g/mol
LogP3.71
Rot. Bonds6

About 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine

2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine (PubChem CID 140985866) has the molecular formula C30H30N10 and a molecular weight of 530.64 g/mol. Its IUPAC name is 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine
PubChem CID140985866
Molecular FormulaC30H30N10
Molecular Weight530.64 g/mol
Exact Mass530.27
IUPAC Name2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine
SMILESc1ccc(C2(N3CCCC3)C(c3ccc[nH]3)CCN(c3cccnn3)C2(c2cnccn2)c2ncccn2)nc1
InChIInChI=1S/C30H30N10/c1-2-12-33-25(9-1)29(39-19-3-4-20-39)23(24-8-5-13-32-24)11-21-40(27-10-6-16-37-38-27)30(29,26-22-31-17-18-34-26)28-35-14-7-15-36-28/h1-2,5-10,12-18,22-23,32H,3-4,11,19-21H2
InChIKeyVHFQBBTZBDTVEJ-UHFFFAOYSA-N
XLogP3.71
TPSA112.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.64
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine?
The IUPAC name of 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine (CID 140985866) is 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine.
What is the SMILES notation for 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine?
The canonical SMILES for 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine is c1ccc(C2(N3CCCC3)C(c3ccc[nH]3)CCN(c3cccnn3)C2(c2cnccn2)c2ncccn2)nc1.
What is the InChIKey of 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine?
The InChIKey is VHFQBBTZBDTVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N10/c1-2-12-33-25(9-1)29(39-19-3-4-20-39)23(24-8-5-13-32-24)11-21-40(27-10-6-16-37-38-27)30(29,26-22-31-17-18-34-26)28-35-14-7-15-36-28/h1-2,5-10,12-18,22-23,32H,3-4,11,19-21H2.
What are the key properties of 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine?
2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine has a molecular weight of 530.64 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)piperidin-2-yl]pyrazine is sourced from PubChem (CID 140985866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).