7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

C23H18F2N8O2 — CID 154970963

IUPAC7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5ncnn5c4)C3=O)ccc2n1
InChIInChI=1S/C23H18F2N8O2/c1-30-9-15-8-16(3-5-18(15)29-30)31-10-14-2-7-21(35-12-19(24)25)28-22(14)33(23(31)34)17-4-6-20-26-13-27-32(20)11-17/h2-9,11,13,19H,10,12H2,1H3
InChIKeyGMMJCBNCXGJAJP-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.93
Rot. Bonds5

About 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154970963) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID154970963
Molecular FormulaC23H18F2N8O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5ncnn5c4)C3=O)ccc2n1
InChIInChI=1S/C23H18F2N8O2/c1-30-9-15-8-16(3-5-18(15)29-30)31-10-14-2-7-21(35-12-19(24)25)28-22(14)33(23(31)34)17-4-6-20-26-13-27-32(20)11-17/h2-9,11,13,19H,10,12H2,1H3
InChIKeyGMMJCBNCXGJAJP-UHFFFAOYSA-N
XLogP3.93
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 154970963) is 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5ncnn5c4)C3=O)ccc2n1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GMMJCBNCXGJAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c1-30-9-15-8-16(3-5-18(15)29-30)31-10-14-2-7-21(35-12-19(24)25)28-22(14)33(23(31)34)17-4-6-20-26-13-27-32(20)11-17/h2-9,11,13,19H,10,12H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 476.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154970963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).