2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine

C25H19F2N7 — CID 142678059

IUPAC2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cnn(-c3ccc(-c4ccc(F)cc4)nc3)c2-c2ccccc2F)nc1
InChIInChI=1S/C25H19F2N7/c26-18-7-5-16(6-8-18)23-10-9-20(15-29-23)34-24(21-3-1-2-4-22(21)27)17(12-33-34)11-30-25-31-13-19(28)14-32-25/h1-10,12-15H,11,28H2,(H,30,31,32)
InChIKeyDBLHQNVESWANFU-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.86
Rot. Bonds6

About 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine

2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine (PubChem CID 142678059) has the molecular formula C25H19F2N7 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine
PubChem CID142678059
Molecular FormulaC25H19F2N7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cnn(-c3ccc(-c4ccc(F)cc4)nc3)c2-c2ccccc2F)nc1
InChIInChI=1S/C25H19F2N7/c26-18-7-5-16(6-8-18)23-10-9-20(15-29-23)34-24(21-3-1-2-4-22(21)27)17(12-33-34)11-30-25-31-13-19(28)14-32-25/h1-10,12-15H,11,28H2,(H,30,31,32)
InChIKeyDBLHQNVESWANFU-UHFFFAOYSA-N
XLogP4.86
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine with MolForge

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Related Compounds

N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine
CID 142232809
[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methanol
CID 142677954
5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine
CID 174504721
ethyl 2-[4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]piperazin-1-yl]acetate
CID 142677891
N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 142678029
N-[[1-[4-(2,5-difluorophenyl)phenyl]-5-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 142677964
[2-tert-butyl-4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]piperidin-1-yl] hydrogen carbonate
CID 91257755
tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate
CID 142678073
4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine
CID 153433682
6-[4-(5-amino-2-pyridinyl)phenyl]pyridin-3-amine
CID 25187082
N-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]butan-1-amine
CID 69363559

Frequently Asked Questions

What is the IUPAC name of 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine (CID 142678059) is 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine is Nc1cnc(NCc2cnn(-c3ccc(-c4ccc(F)cc4)nc3)c2-c2ccccc2F)nc1.
What is the InChIKey of 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine?
The InChIKey is DBLHQNVESWANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7/c26-18-7-5-16(6-8-18)23-10-9-20(15-29-23)34-24(21-3-1-2-4-22(21)27)17(12-33-34)11-30-25-31-13-19(28)14-32-25/h1-10,12-15H,11,28H2,(H,30,31,32).
What are the key properties of 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine?
2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine has a molecular weight of 455.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 142678059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).