8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C19H18FN5O — CID 166339405

IUPAC8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1F)CNCC2
InChIInChI=1S/C19H18FN5O/c20-18-15(2-1-14-5-9-22-11-16(14)18)19(26)23-17-6-10-25(24-17)12-13-3-7-21-8-4-13/h1-4,6-8,10,22H,5,9,11-12H2,(H,23,24,26)
InChIKeyKHOYVTPJXKDYIF-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.36
Rot. Bonds4

About 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 166339405) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID166339405
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1F)CNCC2
InChIInChI=1S/C19H18FN5O/c20-18-15(2-1-14-5-9-22-11-16(14)18)19(26)23-17-6-10-25(24-17)12-13-3-7-21-8-4-13/h1-4,6-8,10,22H,5,9,11-12H2,(H,23,24,26)
InChIKeyKHOYVTPJXKDYIF-UHFFFAOYSA-N
XLogP2.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 166207454
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 51101878
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 51101500
3-(2-oxoimidazolidin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide
CID 51129993
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871238
N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 166218439
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 166339405) is 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1F)CNCC2.
What is the InChIKey of 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is KHOYVTPJXKDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-18-15(2-1-14-5-9-22-11-16(14)18)19(26)23-17-6-10-25(24-17)12-13-3-7-21-8-4-13/h1-4,6-8,10,22H,5,9,11-12H2,(H,23,24,26).
What are the key properties of 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 166339405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).