CID 156792383

C35H39ClN8OSi — CID 156792383

IUPAC—
SMILESC=CC(=O)N1CCC(n2nc(-c3ccc4c(cnn4CCN4CC[C@H](C=C)[Si]C4)c3)c(-c3c(Cl)c(C)cc4[nH]ncc34)c2C)CC1
InChIInChI=1S/C35H39ClN8OSi/c1-5-27-11-12-41(21-46-27)15-16-43-30-8-7-24(18-25(30)19-38-43)35-32(33-28-20-37-39-29(28)17-22(3)34(33)36)23(4)44(40-35)26-9-13-42(14-10-26)31(45)6-2/h5-8,17-20,26-27H,1-2,9-16,21H2,3-4H3,(H,37,39)/t27-/m0/s1
InChIKeyGRDNTGFXNWHXOX-MHZLTWQESA-N
MW651.29 g/mol
LogP6.40
Rot. Bonds8

About CID 156792383

CID 156792383 (PubChem CID 156792383) has the molecular formula C35H39ClN8OSi and a molecular weight of 651.29 g/mol.

Molecular Properties

Compound NameCID 156792383
PubChem CID156792383
Molecular FormulaC35H39ClN8OSi
Molecular Weight651.29 g/mol
Exact Mass650.27
IUPAC Name—
SMILESC=CC(=O)N1CCC(n2nc(-c3ccc4c(cnn4CCN4CC[C@H](C=C)[Si]C4)c3)c(-c3c(Cl)c(C)cc4[nH]ncc34)c2C)CC1
InChIInChI=1S/C35H39ClN8OSi/c1-5-27-11-12-41(21-46-27)15-16-43-30-8-7-24(18-25(30)19-38-43)35-32(33-28-20-37-39-29(28)17-22(3)34(33)36)23(4)44(40-35)26-9-13-42(14-10-26)31(45)6-2/h5-8,17-20,26-27H,1-2,9-16,21H2,3-4H3,(H,37,39)/t27-/m0/s1
InChIKeyGRDNTGFXNWHXOX-MHZLTWQESA-N
XLogP6.40
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.29
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(5,6-dimethyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 174275752
1-[4-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(2-methyl-1,3-dihydroisoindol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512506
1-[4-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylpyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512574
5-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 156512417
1-[4-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-[3-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512481
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-isoquinolin-6-yl-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026463
1-[4-[4-(5-chloro-1H-indazol-4-yl)-5-methyl-3-(2-methyl-4-pyridinyl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512527
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-[2-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026497
5-chloro-6-methyl-4-[5-methyl-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3-(1-methylindazol-5-yl)pyrazol-4-yl]-1H-indazole;ethane;prop-2-enal
CID 156792248
1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-3-[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 166026466
1-[5-[3-[(2S)-4-acetyl-2-ethyl-2-methylpiperazin-1-yl]-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-1-yl]azocan-1-yl]prop-2-en-1-one
CID 166542525
5-chloro-6-methyl-4-[5-methyl-3-(1-methylindazol-5-yl)-1-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-1H-indazole
CID 172547516

Frequently Asked Questions

What is the IUPAC name of CID 156792383?
The IUPAC name of CID 156792383 (CID 156792383) is not available.
What is the SMILES notation for CID 156792383?
The canonical SMILES for CID 156792383 is C=CC(=O)N1CCC(n2nc(-c3ccc4c(cnn4CCN4CC[C@H](C=C)[Si]C4)c3)c(-c3c(Cl)c(C)cc4[nH]ncc34)c2C)CC1.
What is the InChIKey of CID 156792383?
The InChIKey is GRDNTGFXNWHXOX-MHZLTWQESA-N. The full InChI is InChI=1S/C35H39ClN8OSi/c1-5-27-11-12-41(21-46-27)15-16-43-30-8-7-24(18-25(30)19-38-43)35-32(33-28-20-37-39-29(28)17-22(3)34(33)36)23(4)44(40-35)26-9-13-42(14-10-26)31(45)6-2/h5-8,17-20,26-27H,1-2,9-16,21H2,3-4H3,(H,37,39)/t27-/m0/s1.
What are the key properties of CID 156792383?
CID 156792383 has a molecular weight of 651.29 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156792383 is sourced from PubChem (CID 156792383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).