4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C23H18FN7 — CID 133408062

IUPAC4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ncnc2n1
InChIInChI=1S/C23H18FN7/c24-17-8-6-15(7-9-17)21-16(13-31(30-21)18-4-2-1-3-5-18)12-26-22-19-10-11-20(25)29-23(19)28-14-27-22/h1-11,13-14H,12H2,(H3,25,26,27,28,29)
InChIKeyXUWWZTUEHWKBKE-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.21
Rot. Bonds5

About 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133408062) has the molecular formula C23H18FN7 and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133408062
Molecular FormulaC23H18FN7
Molecular Weight411.44 g/mol
Exact Mass411.16
IUPAC Name4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ncnc2n1
InChIInChI=1S/C23H18FN7/c24-17-8-6-15(7-9-17)21-16(13-31(30-21)18-4-2-1-3-5-18)12-26-22-19-10-11-20(25)29-23(19)28-14-27-22/h1-11,13-14H,12H2,(H3,25,26,27,28,29)
InChIKeyXUWWZTUEHWKBKE-UHFFFAOYSA-N
XLogP4.21
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166184200
4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133439662
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 25485657
2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
CID 7716290
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
N-[1-(aminomethyl)cyclopentyl]-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119566079
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916

Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133408062) is 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ncnc2n1.
What is the InChIKey of 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is XUWWZTUEHWKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7/c24-17-8-6-15(7-9-17)21-16(13-31(30-21)18-4-2-1-3-5-18)12-26-22-19-10-11-20(25)29-23(19)28-14-27-22/h1-11,13-14H,12H2,(H3,25,26,27,28,29).
What are the key properties of 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 411.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133408062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).