6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide

C28H24F2N6O4 — CID 162772213

IUPAC6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)N[C@H]5CCOC[C@@H]5O)c5ncncc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N6O4/c1-35-10-18-16(3-2-4-23(18)34-35)15-7-21(29)19(22(30)8-15)11-36-12-20(26-17(28(36)39)9-31-14-32-26)27(38)33-24-5-6-40-13-25(24)37/h2-4,7-10,12,14,24-25,37H,5-6,11,13H2,1H3,(H,33,38)/t24-,25-/m0/s1
InChIKeySGDQQQPROBWQOO-DQEYMECFSA-N
MW546.53 g/mol
LogP2.55
Rot. Bonds5

About 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide

6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide (PubChem CID 162772213) has the molecular formula C28H24F2N6O4 and a molecular weight of 546.53 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
PubChem CID162772213
Molecular FormulaC28H24F2N6O4
Molecular Weight546.53 g/mol
Exact Mass546.18
IUPAC Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)N[C@H]5CCOC[C@@H]5O)c5ncncc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N6O4/c1-35-10-18-16(3-2-4-23(18)34-35)15-7-21(29)19(22(30)8-15)11-36-12-20(26-17(28(36)39)9-31-14-32-26)27(38)33-24-5-6-40-13-25(24)37/h2-4,7-10,12,14,24-25,37H,5-6,11,13H2,1H3,(H,33,38)/t24-,25-/m0/s1
InChIKeySGDQQQPROBWQOO-DQEYMECFSA-N
XLogP2.55
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide with MolForge

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Related Compounds

6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
CID 162772274
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772136
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 122413548
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772245
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one
CID 146216705
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-7,8-dimethyl-4-oxoquinazolin-6-yl]methyl]benzamide
CID 162466553
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501248
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772225
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide?
The IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide (CID 162772213) is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide?
The canonical SMILES for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide is Cn1cc2c(-c3cc(F)c(Cn4cc(C(=O)N[C@H]5CCOC[C@@H]5O)c5ncncc5c4=O)c(F)c3)cccc2n1.
What is the InChIKey of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide?
The InChIKey is SGDQQQPROBWQOO-DQEYMECFSA-N. The full InChI is InChI=1S/C28H24F2N6O4/c1-35-10-18-16(3-2-4-23(18)34-35)15-7-21(29)19(22(30)8-15)11-36-12-20(26-17(28(36)39)9-31-14-32-26)27(38)33-24-5-6-40-13-25(24)37/h2-4,7-10,12,14,24-25,37H,5-6,11,13H2,1H3,(H,33,38)/t24-,25-/m0/s1.
What are the key properties of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide?
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide has a molecular weight of 546.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 162772213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).