1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

C23H18F2N8O2 — CID 154970989

IUPAC1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5n[nH]nc5c4)C3=O)ccc2n1
InChIInChI=1S/C23H18F2N8O2/c1-31-10-14-8-15(3-5-17(14)29-31)32-11-13-2-7-21(35-12-20(24)25)26-22(13)33(23(32)34)16-4-6-18-19(9-16)28-30-27-18/h2-10,20H,11-12H2,1H3,(H,27,28,30)
InChIKeyXALCOGICMNMWBK-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.16
Rot. Bonds5

About 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154970989) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID154970989
Molecular FormulaC23H18F2N8O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5n[nH]nc5c4)C3=O)ccc2n1
InChIInChI=1S/C23H18F2N8O2/c1-31-10-14-8-15(3-5-17(14)29-31)32-11-13-2-7-21(35-12-20(24)25)26-22(13)33(23(32)34)16-4-6-18-19(9-16)28-30-27-18/h2-10,20H,11-12H2,1H3,(H,27,28,30)
InChIKeyXALCOGICMNMWBK-UHFFFAOYSA-N
XLogP4.16
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 153629863
7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 168272798
9-[[4-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]-7H-purin-8-one
CID 129140331
8-(6-Methoxy-pyridin-3-yl)-3-methyl-1-(4-pyrazol-1-yl-3-trifluoromethyl-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 11977654
8-(6-Methoxy-pyridin-3-yl)-3-methyl-1-(4-[1,2,4]triazol-1-yl-3-trifluoromethyl-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 53630326
8-(6-Ethoxypyridin-3-yl)-3-methyl-1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazo[4,5-c]quinolin-2-one
CID 59619707
1-[3-Fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 66729099
1-[2-Fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 66729224
1-[3-Fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[2-(4-methylimidazol-1-yl)quinolin-6-yl]urea
CID 66729413
1-[2-Fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[2-(4-methylimidazol-1-yl)quinolin-6-yl]urea
CID 66729613
1-[2-Fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-propan-2-yl-1-quinolin-6-ylimidazol-2-yl)urea
CID 67252317
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide
CID 74538983

Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 154970989) is 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5n[nH]nc5c4)C3=O)ccc2n1.
What is the InChIKey of 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is XALCOGICMNMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c1-31-10-14-8-15(3-5-17(14)29-31)32-11-13-2-7-21(35-12-20(24)25)26-22(13)33(23(32)34)16-4-6-18-19(9-16)28-30-27-18/h2-10,20H,11-12H2,1H3,(H,27,28,30).
What are the key properties of 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 476.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154970989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).