4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline

C22H21F2N7 — CID 133276321

IUPAC4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESFC(F)n1ccnc1CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C22H21F2N7/c23-22(24)31-10-9-26-19(31)15-29-11-13-30(14-12-29)21-17-3-1-2-4-18(17)27-20(28-21)16-5-7-25-8-6-16/h1-10,22H,11-15H2
InChIKeyYANUSFJSGBWLBV-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.61
Rot. Bonds5

About 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 133276321) has the molecular formula C22H21F2N7 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID133276321
Molecular FormulaC22H21F2N7
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
SMILESFC(F)n1ccnc1CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C22H21F2N7/c23-22(24)31-10-9-26-19(31)15-29-11-13-30(14-12-29)21-17-3-1-2-4-18(17)27-20(28-21)16-5-7-25-8-6-16/h1-10,22H,11-15H2
InChIKeyYANUSFJSGBWLBV-UHFFFAOYSA-N
XLogP3.61
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline (CID 133276321) is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline is FC(F)n1ccnc1CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is YANUSFJSGBWLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7/c23-22(24)31-10-9-26-19(31)15-29-11-13-30(14-12-29)21-17-3-1-2-4-18(17)27-20(28-21)16-5-7-25-8-6-16/h1-10,22H,11-15H2.
What are the key properties of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline?
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 421.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 133276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).