N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide

C32H26FN7O3 — CID 168846690

IUPACN-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c[nH]c(=O)c3[nH]cnc23)c(F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26FN7O3/c1-40-25(14-15-37-40)30(41)39-28(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)32(43)38-21-12-13-22(24(33)16-21)23-17-34-31(42)29-27(23)35-18-36-29/h2-18,26,28H,1H3,(H,34,42)(H,35,36)(H,38,43)(H,39,41)
InChIKeyCHKIOTYIZDAKAC-UHFFFAOYSA-N
MW575.60 g/mol
LogP4.36
Rot. Bonds8

About N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 168846690) has the molecular formula C32H26FN7O3 and a molecular weight of 575.60 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID168846690
Molecular FormulaC32H26FN7O3
Molecular Weight575.60 g/mol
Exact Mass575.21
IUPAC NameN-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c[nH]c(=O)c3[nH]cnc23)c(F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26FN7O3/c1-40-25(14-15-37-40)30(41)39-28(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)32(43)38-21-12-13-22(24(33)16-21)23-17-34-31(42)29-27(23)35-18-36-29/h2-18,26,28H,1H3,(H,34,42)(H,35,36)(H,38,43)(H,39,41)
InChIKeyCHKIOTYIZDAKAC-UHFFFAOYSA-N
XLogP4.36
TPSA137.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.60
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 168846690) is N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c[nH]c(=O)c3[nH]cnc23)c(F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CHKIOTYIZDAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O3/c1-40-25(14-15-37-40)30(41)39-28(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)32(43)38-21-12-13-22(24(33)16-21)23-17-34-31(42)29-27(23)35-18-36-29/h2-18,26,28H,1H3,(H,34,42)(H,35,36)(H,38,43)(H,39,41).
What are the key properties of N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 575.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168846690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).