CID 153354405

C34H35FN4O3Si — CID 153354405

IUPAC—
SMILESCOC(=O)C[Si]C1CCN(c2ccc(-c3cc4cc(C(=O)N5CCc6ccccc6[C@H]5C)cc(C5CC5)n4n3)c(F)c2)C1
InChIInChI=1S/C34H35FN4O3Si/c1-21-28-6-4-3-5-22(28)11-14-38(21)34(41)24-15-26-18-31(36-39(26)32(16-24)23-7-8-23)29-10-9-25(17-30(29)35)37-13-12-27(19-37)43-20-33(40)42-2/h3-6,9-10,15-18,21,23,27H,7-8,11-14,19-20H2,1-2H3/t21-,27?/m1/s1
InChIKeyGSERUVQACCTGLH-XJQHNOHDSA-N
MW594.76 g/mol
LogP6.07
Rot. Bonds7

About CID 153354405

CID 153354405 (PubChem CID 153354405) has the molecular formula C34H35FN4O3Si and a molecular weight of 594.76 g/mol.

Molecular Properties

Compound NameCID 153354405
PubChem CID153354405
Molecular FormulaC34H35FN4O3Si
Molecular Weight594.76 g/mol
Exact Mass594.25
IUPAC Name—
SMILESCOC(=O)C[Si]C1CCN(c2ccc(-c3cc4cc(C(=O)N5CCc6ccccc6[C@H]5C)cc(C5CC5)n4n3)c(F)c2)C1
InChIInChI=1S/C34H35FN4O3Si/c1-21-28-6-4-3-5-22(28)11-14-38(21)34(41)24-15-26-18-31(36-39(26)32(16-24)23-7-8-23)29-10-9-25(17-30(29)35)37-13-12-27(19-37)43-20-33(40)42-2/h3-6,9-10,15-18,21,23,27H,7-8,11-14,19-20H2,1-2H3/t21-,27?/m1/s1
InChIKeyGSERUVQACCTGLH-XJQHNOHDSA-N
XLogP6.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[7-cyclopropyl-2-[2-fluoro-4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155312713
(3S)-1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidine-3-carbonitrile
CID 154635473
1-[4-[7-cyclopropyl-5-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylic acid
CID 142600091
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylic acid
CID 142600076
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 155163111
methyl (3S)-1-[3-fluoro-4-[7-(4-methoxyphenyl)-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-3-carboxylate
CID 154635428
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]azetidine-3-carboxamide
CID 142600224
[7-cyclopropyl-2-[4-[(4S)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-2-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 142600188
methyl (3S)-1-[3-fluoro-4-[5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-3-carboxylate
CID 170010075
cis-ethyl (1R,2S)-2-[4-[7-ethyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate
CID 155677304
2-[4-[7-ethyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carbaldehyde
CID 170110025
(3S)-1-[3-fluoro-4-[7-(5-fluoro-3-pyridinyl)-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-3-carboxamide
CID 154635476

Frequently Asked Questions

What is the IUPAC name of CID 153354405?
The IUPAC name of CID 153354405 (CID 153354405) is not available.
What is the SMILES notation for CID 153354405?
The canonical SMILES for CID 153354405 is COC(=O)C[Si]C1CCN(c2ccc(-c3cc4cc(C(=O)N5CCc6ccccc6[C@H]5C)cc(C5CC5)n4n3)c(F)c2)C1.
What is the InChIKey of CID 153354405?
The InChIKey is GSERUVQACCTGLH-XJQHNOHDSA-N. The full InChI is InChI=1S/C34H35FN4O3Si/c1-21-28-6-4-3-5-22(28)11-14-38(21)34(41)24-15-26-18-31(36-39(26)32(16-24)23-7-8-23)29-10-9-25(17-30(29)35)37-13-12-27(19-37)43-20-33(40)42-2/h3-6,9-10,15-18,21,23,27H,7-8,11-14,19-20H2,1-2H3/t21-,27?/m1/s1.
What are the key properties of CID 153354405?
CID 153354405 has a molecular weight of 594.76 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153354405 is sourced from PubChem (CID 153354405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).