4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

C34H38ClFN4OSi — CID 171752567

IUPAC4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
SMILESCC(C)[Si](C#Cc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C
InChIInChI=1S/C34H38ClFN4OSi/c1-19(2)42(20(3)4,21(5)6)13-11-22-8-7-9-23-14-24(41)15-25(30(22)23)32-31(36)33-26(16-38-32)34(27(35)17-39-33)40-18-28-29(40)10-12-37-28/h7-9,14-17,19-21,28-29,37,41H,10,12,18H2,1-6H3/t28-,29-/m1/s1
InChIKeyKJZHRYNUMNSXHT-FQLXRVMXSA-N
MW601.24 g/mol
LogP8.07
Rot. Bonds5

About 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (PubChem CID 171752567) has the molecular formula C34H38ClFN4OSi and a molecular weight of 601.24 g/mol. Its IUPAC name is 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
PubChem CID171752567
Molecular FormulaC34H38ClFN4OSi
Molecular Weight601.24 g/mol
Exact Mass600.25
IUPAC Name4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
SMILESCC(C)[Si](C#Cc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C
InChIInChI=1S/C34H38ClFN4OSi/c1-19(2)42(20(3)4,21(5)6)13-11-22-8-7-9-23-14-24(41)15-25(30(22)23)32-31(36)33-26(16-38-32)34(27(35)17-39-33)40-18-28-29(40)10-12-37-28/h7-9,14-17,19-21,28-29,37,41H,10,12,18H2,1-6H3/t28-,29-/m1/s1
InChIKeyKJZHRYNUMNSXHT-FQLXRVMXSA-N
XLogP8.07
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.24
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol with MolForge

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Related Compounds

2-[8-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 171752501
(1R,5R)-6-[3-bromo-8-fluoro-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-1,6-naphthyridin-4-yl]-2,6-diazabicyclo[3.2.0]heptane-2-carboxylic acid
CID 174191437
[8-fluoro-7-[3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl] 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 175801652
4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
CID 155211318
tert-butyl (1R,5R)-6-[7-fluoro-6-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-[1,2]thiazolo[4,3-c]pyridin-3-yl]-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 171752485
(1R,5R)-6-[8-fluoro-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-1,6-naphthyridin-4-yl]-2,6-diazabicyclo[3.2.0]heptane-2-carboxylic acid
CID 174191463
8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 170939576
4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]-5-ethylnaphthalen-2-ol
CID 164521872
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-7-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 169305516
5-chloro-4-[4-(1-ethylpiperidin-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 163609058
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-fluoronaphthalen-2-ol
CID 166535276
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynylnaphthalen-2-ol
CID 171073342

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?
The IUPAC name of 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (CID 171752567) is 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.
What is the SMILES notation for 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?
The canonical SMILES for 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is CC(C)[Si](C#Cc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C.
What is the InChIKey of 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?
The InChIKey is KJZHRYNUMNSXHT-FQLXRVMXSA-N. The full InChI is InChI=1S/C34H38ClFN4OSi/c1-19(2)42(20(3)4,21(5)6)13-11-22-8-7-9-23-14-24(41)15-25(30(22)23)32-31(36)33-26(16-38-32)34(27(35)17-39-33)40-18-28-29(40)10-12-37-28/h7-9,14-17,19-21,28-29,37,41H,10,12,18H2,1-6H3/t28-,29-/m1/s1.
What are the key properties of 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?
4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol has a molecular weight of 601.24 g/mol, XLogP of 8.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-1,6-naphthyridin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is sourced from PubChem (CID 171752567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).