[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol

C32H34F2N4O3 — CID 171786258

IUPAC[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
SMILESCCc1c(F)ccc2cc(C)cc(-c3ncc4c(N5CCC[C@]6(CCO6)C5)nc(OCC5(CO)CC5)nc4c3F)c12
InChIInChI=1S/C32H34F2N4O3/c1-3-21-24(33)6-5-20-13-19(2)14-22(25(20)21)27-26(34)28-23(15-35-27)29(38-11-4-7-32(16-38)10-12-41-32)37-30(36-28)40-18-31(17-39)8-9-31/h5-6,13-15,39H,3-4,7-12,16-18H2,1-2H3/t32-/m0/s1
InChIKeyWJRMOUXVGMWBGO-YTTGMZPUSA-N
MW560.65 g/mol
LogP5.90
Rot. Bonds7

About [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol

[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol (PubChem CID 171786258) has the molecular formula C32H34F2N4O3 and a molecular weight of 560.65 g/mol. Its IUPAC name is [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
PubChem CID171786258
Molecular FormulaC32H34F2N4O3
Molecular Weight560.65 g/mol
Exact Mass560.26
IUPAC Name[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
SMILESCCc1c(F)ccc2cc(C)cc(-c3ncc4c(N5CCC[C@]6(CCO6)C5)nc(OCC5(CO)CC5)nc4c3F)c12
InChIInChI=1S/C32H34F2N4O3/c1-3-21-24(33)6-5-20-13-19(2)14-22(25(20)21)27-26(34)28-23(15-35-27)29(38-11-4-7-32(16-38)10-12-41-32)37-30(36-28)40-18-31(17-39)8-9-31/h5-6,13-15,39H,3-4,7-12,16-18H2,1-2H3/t32-/m0/s1
InChIKeyWJRMOUXVGMWBGO-YTTGMZPUSA-N
XLogP5.90
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-6-fluoro-4-[8-fluoro-2-[[1-[(3-fluoro-3-methylazetidin-1-yl)methyl]cyclopropyl]methoxy]-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 175635154
4-[7-[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 171657776
5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(5-oxa-8-azaspiro[3.5]nonan-8-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167468684
5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 175635799
8-[7-[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoro-2-methylsulfinylpyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane
CID 176908492
9-[7-[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-9-azaspiro[4.5]decane
CID 167468655
(4R)-8-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-1,8-diazaspiro[3.5]nonan-2-one
CID 167380990
5-ethyl-6-fluoro-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 169184959
1-[[4-(1,9-dioxa-6-azaspiro[3.6]decan-6-yl)-7-[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbaldehyde
CID 171658154
5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[5.5]undec-3-en-8-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 176896058
1-[6-[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-5-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171786333
(3R)-1-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(3S,8R)-3-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 164535155

Frequently Asked Questions

What is the IUPAC name of [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The IUPAC name of [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol (CID 171786258) is [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol is CCc1c(F)ccc2cc(C)cc(-c3ncc4c(N5CCC[C@]6(CCO6)C5)nc(OCC5(CO)CC5)nc4c3F)c12.
What is the InChIKey of [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The InChIKey is WJRMOUXVGMWBGO-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H34F2N4O3/c1-3-21-24(33)6-5-20-13-19(2)14-22(25(20)21)27-26(34)28-23(15-35-27)29(38-11-4-7-32(16-38)10-12-41-32)37-30(36-28)40-18-31(17-39)8-9-31/h5-6,13-15,39H,3-4,7-12,16-18H2,1-2H3/t32-/m0/s1.
What are the key properties of [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
[1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol has a molecular weight of 560.65 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[7-(8-ethyl-7-fluoro-3-methylnaphthalen-1-yl)-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 171786258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).