6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C23H22FN5O — CID 46992946

IUPAC6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCC(C)n1cc(-c2cc(C(=O)N(C)Cc3cccnc3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C23H22FN5O/c1-15(2)29-14-17(12-26-29)22-10-20(19-9-18(24)6-7-21(19)27-22)23(30)28(3)13-16-5-4-8-25-11-16/h4-12,14-15H,13H2,1-3H3
InChIKeyNQBNODINDTZMHM-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.49
Rot. Bonds5

About 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 46992946) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID46992946
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCC(C)n1cc(-c2cc(C(=O)N(C)Cc3cccnc3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C23H22FN5O/c1-15(2)29-14-17(12-26-29)22-10-20(19-9-18(24)6-7-21(19)27-22)23(30)28(3)13-16-5-4-8-25-11-16/h4-12,14-15H,13H2,1-3H3
InChIKeyNQBNODINDTZMHM-UHFFFAOYSA-N
XLogP4.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 46992946) is 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is CC(C)n1cc(-c2cc(C(=O)N(C)Cc3cccnc3)c3cc(F)ccc3n2)cn1.
What is the InChIKey of 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is NQBNODINDTZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15(2)29-14-17(12-26-29)22-10-20(19-9-18(24)6-7-21(19)27-22)23(30)28(3)13-16-5-4-8-25-11-16/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46992946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).