6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C20H22FN7O — CID 135388187

IUPAC6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC1NCCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc21
InChIInChI=1S/C20H22FN7O/c1-11(2)28-19(25-26-27-28)17-5-4-6-18(23-17)24-20(29)15-10-14-12(3)22-8-7-13(14)9-16(15)21/h4-6,9-12,22H,7-8H2,1-3H3,(H,23,24,29)
InChIKeyQOJZQUWQGPLSAV-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.91
Rot. Bonds4

About 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 135388187) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID135388187
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC1NCCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc21
InChIInChI=1S/C20H22FN7O/c1-11(2)28-19(25-26-27-28)17-5-4-6-18(23-17)24-20(29)15-10-14-12(3)22-8-7-13(14)9-16(15)21/h4-6,9-12,22H,7-8H2,1-3H3,(H,23,24,29)
InChIKeyQOJZQUWQGPLSAV-UHFFFAOYSA-N
XLogP2.91
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide with MolForge

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Related Compounds

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CID 59759575
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CID 132056701
CID 132056701
CID 145967718
CID 145967718
CID 145970231
CID 145970231
CID 145993521
CID 145993521
CID 155521986
CID 155521986
CID 58102973
CID 58102973
CID 71010081
CID 71010081
CID 132056661
CID 132056661
CID 132056710
CID 132056710

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 135388187) is 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CC1NCCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc21.
What is the InChIKey of 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is QOJZQUWQGPLSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-11(2)28-19(25-26-27-28)17-5-4-6-18(23-17)24-20(29)15-10-14-12(3)22-8-7-13(14)9-16(15)21/h4-6,9-12,22H,7-8H2,1-3H3,(H,23,24,29).
What are the key properties of 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 135388187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).