4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide

C30H31F2N5O4 — CID 175877652

IUPAC4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
SMILESCOc1cc(C(N)=O)cc2c(CC3(c4cc(C(C)(C)O)c(F)c(-c5ccc(F)cc5)n4)CC(N)CO3)c(C)nnc12
InChIInChI=1S/C30H31F2N5O4/c1-15-21(20-9-17(28(34)38)10-23(40-4)27(20)37-36-15)13-30(12-19(33)14-41-30)24-11-22(29(2,3)39)25(32)26(35-24)16-5-7-18(31)8-6-16/h5-11,19,39H,12-14,33H2,1-4H3,(H2,34,38)
InChIKeyPVCGCSYUTZXAGM-UHFFFAOYSA-N
MW563.61 g/mol
LogP3.80
Rot. Bonds7

About 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide

4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide (PubChem CID 175877652) has the molecular formula C30H31F2N5O4 and a molecular weight of 563.61 g/mol. Its IUPAC name is 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
PubChem CID175877652
Molecular FormulaC30H31F2N5O4
Molecular Weight563.61 g/mol
Exact Mass563.23
IUPAC Name4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
SMILESCOc1cc(C(N)=O)cc2c(CC3(c4cc(C(C)(C)O)c(F)c(-c5ccc(F)cc5)n4)CC(N)CO3)c(C)nnc12
InChIInChI=1S/C30H31F2N5O4/c1-15-21(20-9-17(28(34)38)10-23(40-4)27(20)37-36-15)13-30(12-19(33)14-41-30)24-11-22(29(2,3)39)25(32)26(35-24)16-5-7-18(31)8-6-16/h5-11,19,39H,12-14,33H2,1-4H3,(H2,34,38)
InChIKeyPVCGCSYUTZXAGM-UHFFFAOYSA-N
XLogP3.80
TPSA146.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.61
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?
The IUPAC name of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide (CID 175877652) is 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide.
What is the SMILES notation for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?
The canonical SMILES for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide is COc1cc(C(N)=O)cc2c(CC3(c4cc(C(C)(C)O)c(F)c(-c5ccc(F)cc5)n4)CC(N)CO3)c(C)nnc12.
What is the InChIKey of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?
The InChIKey is PVCGCSYUTZXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5O4/c1-15-21(20-9-17(28(34)38)10-23(40-4)27(20)37-36-15)13-30(12-19(33)14-41-30)24-11-22(29(2,3)39)25(32)26(35-24)16-5-7-18(31)8-6-16/h5-11,19,39H,12-14,33H2,1-4H3,(H2,34,38).
What are the key properties of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?
4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide is sourced from PubChem (CID 175877652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).