N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C26H35FN6O2Si — CID 151174811

IUPACN-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1
InChIInChI=1S/C26H35FN6O2Si/c1-17(15-35-36(5,6)26(2,3)4)33-16-29-32-24(33)22-8-7-9-23(30-22)31-25(34)20-12-19-14-28-11-10-18(19)13-21(20)27/h7-9,12-13,16-17,28H,10-11,14-15H2,1-6H3,(H,30,31,34)/t17-/m1/s1
InChIKeyNDASZZGDCXTPGQ-QGZVFWFLSA-N
MW510.69 g/mol
LogP4.96
Rot. Bonds7

About N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 151174811) has the molecular formula C26H35FN6O2Si and a molecular weight of 510.69 g/mol. Its IUPAC name is N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID151174811
Molecular FormulaC26H35FN6O2Si
Molecular Weight510.69 g/mol
Exact Mass510.26
IUPAC NameN-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1
InChIInChI=1S/C26H35FN6O2Si/c1-17(15-35-36(5,6)26(2,3)4)33-16-29-32-24(33)22-8-7-9-23(30-22)31-25(34)20-12-19-14-28-11-10-18(19)13-21(20)27/h7-9,12-13,16-17,28H,10-11,14-15H2,1-6H3,(H,30,31,34)/t17-/m1/s1
InChIKeyNDASZZGDCXTPGQ-QGZVFWFLSA-N
XLogP4.96
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide
CID 134137100
3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145993521
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
USRE48711, Example 224
CID 58102973
US11345676, Example 10
CID 135347718
US10450301, Example 53
CID 135387755
US10450301, Example 27
CID 135387844
US10450301, Example 58
CID 135387856
US10450301, Example 24
CID 135387901
US10450301, Example 54
CID 135388173
US10450301, Example 68
CID 135388187
US10450301, Example 20
CID 135388370

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 151174811) is N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is C[C@H](CO[Si](C)(C)C(C)(C)C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1.
What is the InChIKey of N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is NDASZZGDCXTPGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H35FN6O2Si/c1-17(15-35-36(5,6)26(2,3)4)33-16-29-32-24(33)22-8-7-9-23(30-22)31-25(34)20-12-19-14-28-11-10-18(19)13-21(20)27/h7-9,12-13,16-17,28H,10-11,14-15H2,1-6H3,(H,30,31,34)/t17-/m1/s1.
What are the key properties of N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 510.69 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 151174811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).