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

C19H20FN7O — CID 135387856

IUPAC6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1
InChIInChI=1S/C19H20FN7O/c1-11(2)27-18(24-25-26-27)16-4-3-5-17(22-16)23-19(28)14-8-13-10-21-7-6-12(13)9-15(14)20/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H,22,23,28)
InChIKeyXNMVPNKSYRDZKT-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.35
Rot. Bonds4

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

6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 135387856) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID135387856
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1
InChIInChI=1S/C19H20FN7O/c1-11(2)27-18(24-25-26-27)16-4-3-5-17(22-16)23-19(28)14-8-13-10-21-7-6-12(13)9-15(14)20/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H,22,23,28)
InChIKeyXNMVPNKSYRDZKT-UHFFFAOYSA-N
XLogP2.35
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 135387856) is 6-fluoro-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-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1.
What is the InChIKey of 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is XNMVPNKSYRDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-11(2)27-18(24-25-26-27)16-4-3-5-17(22-16)23-19(28)14-8-13-10-21-7-6-12(13)9-15(14)20/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H,22,23,28).
What are the key properties of 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 135387856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).