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

C34H38ClFN4Si — CID 171752501

IUPAC2-[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
SMILESCC(C)[Si](C#Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C
InChIInChI=1S/C34H38ClFN4Si/c1-20(2)41(21(3)4,22(5)6)16-14-24-10-7-9-23-11-8-12-25(30(23)24)32-31(36)33-26(17-38-32)34(27(35)18-39-33)40-19-28-29(40)13-15-37-28/h7-12,17-18,20-22,28-29,37H,13,15,19H2,1-6H3/t28-,29-/m1/s1
InChIKeyDWBGJOUVNDJBEF-FQLXRVMXSA-N
MW585.24 g/mol
LogP8.36
Rot. Bonds5

About 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

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 (PubChem CID 171752501) has the molecular formula C34H38ClFN4Si and a molecular weight of 585.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171752501
Molecular FormulaC34H38ClFN4Si
Molecular Weight585.24 g/mol
Exact Mass584.25
IUPAC Name2-[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
SMILESCC(C)[Si](C#Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C
InChIInChI=1S/C34H38ClFN4Si/c1-20(2)41(21(3)4,22(5)6)16-14-24-10-7-9-23-11-8-12-25(30(23)24)32-31(36)33-26(17-38-32)34(27(35)18-39-33)40-19-28-29(40)13-15-37-28/h7-12,17-18,20-22,28-29,37H,13,15,19H2,1-6H3/t28-,29-/m1/s1
InChIKeyDWBGJOUVNDJBEF-FQLXRVMXSA-N
XLogP8.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.24
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
(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
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
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
(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
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
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
2-[8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 174198380
(4R,7S)-15-(8-chloronaphthalen-1-yl)-14-fluoro-9-methyl-4-(methylsulfonylmethyl)-2,5,9,12,16-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 170562910
4-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine
CID 170439023
[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
tert-butyl 4-[8-fluoro-7-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[8-fluoro-7-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;prop-2-enoyl prop-2-enoate
CID 160771265

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[Si](C#Cc1cccc2cccc(-c3ncc4c(N5C[C@H]6NCC[C@H]65)c(Cl)cnc4c3F)c12)(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is DWBGJOUVNDJBEF-FQLXRVMXSA-N. The full InChI is InChI=1S/C34H38ClFN4Si/c1-20(2)41(21(3)4,22(5)6)16-14-24-10-7-9-23-11-8-12-25(30(23)24)32-31(36)33-26(17-38-32)34(27(35)18-39-33)40-19-28-29(40)13-15-37-28/h7-12,17-18,20-22,28-29,37H,13,15,19H2,1-6H3/t28-,29-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 585.24 g/mol, XLogP of 8.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171752501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).