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NFMZQAXMFQBLNU-QGZVFWFLSA-N

C27H25ClF3N5O — CID 11606178

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-chloro-6-[(3R)-3-methyl-4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESC[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C27H25ClF3N5O/c1-17-15-35(25-22(28)13-18(16-37)14-32-25)11-12-36(17)26-33-23(19-5-3-2-4-6-19)24(34-26)20-7-9-21(10-8-20)27(29,30)31/h2-10,13-14,17,37H,11-12,15-16H2,1H3,(H,33,34)/t17-/m1/s1
InChIKeyNFMZQAXMFQBLNU-QGZVFWFLSA-N
MW527.98 g/mol
LogP6.02
Rot. Bonds5

About NFMZQAXMFQBLNU-QGZVFWFLSA-N

NFMZQAXMFQBLNU-QGZVFWFLSA-N (PubChem CID 11606178) has the molecular formula C27H25ClF3N5O and a molecular weight of 527.98 g/mol. Its IUPAC name is [5-chloro-6-[(3R)-3-methyl-4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound NameNFMZQAXMFQBLNU-QGZVFWFLSA-N
PubChem CID11606178
Molecular FormulaC27H25ClF3N5O
Molecular Weight527.98 g/mol
Exact Mass527.17
IUPAC Name[5-chloro-6-[(3R)-3-methyl-4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESC[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C27H25ClF3N5O/c1-17-15-35(25-22(28)13-18(16-37)14-32-25)11-12-36(17)26-33-23(19-5-3-2-4-6-19)24(34-26)20-7-9-21(10-8-20)27(29,30)31/h2-10,13-14,17,37H,11-12,15-16H2,1H3,(H,33,34)/t17-/m1/s1
InChIKeyNFMZQAXMFQBLNU-QGZVFWFLSA-N
XLogP6.02
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of NFMZQAXMFQBLNU-QGZVFWFLSA-N?
The IUPAC name of NFMZQAXMFQBLNU-QGZVFWFLSA-N (CID 11606178) is [5-chloro-6-[(3R)-3-methyl-4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for NFMZQAXMFQBLNU-QGZVFWFLSA-N?
The canonical SMILES for NFMZQAXMFQBLNU-QGZVFWFLSA-N is C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of NFMZQAXMFQBLNU-QGZVFWFLSA-N?
The InChIKey is NFMZQAXMFQBLNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H25ClF3N5O/c1-17-15-35(25-22(28)13-18(16-37)14-32-25)11-12-36(17)26-33-23(19-5-3-2-4-6-19)24(34-26)20-7-9-21(10-8-20)27(29,30)31/h2-10,13-14,17,37H,11-12,15-16H2,1H3,(H,33,34)/t17-/m1/s1.
What are the key properties of NFMZQAXMFQBLNU-QGZVFWFLSA-N?
NFMZQAXMFQBLNU-QGZVFWFLSA-N has a molecular weight of 527.98 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for NFMZQAXMFQBLNU-QGZVFWFLSA-N is sourced from PubChem (CID 11606178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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