N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C19H17BrN4O2 — CID 121363583

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1
InChIInChI=1S/C19H17BrN4O2/c1-2-24-10-16(20)17(23-24)9-22-19(25)12-3-4-15-14-5-6-21-8-13(14)11-26-18(15)7-12/h3-8,10H,2,9,11H2,1H3,(H,22,25)
InChIKeyDRPFEBZHSUVEAF-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.55
Rot. Bonds4

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363583) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363583
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1
InChIInChI=1S/C19H17BrN4O2/c1-2-24-10-16(20)17(23-24)9-22-19(25)12-3-4-15-14-5-6-21-8-13(14)11-26-18(15)7-12/h3-8,10H,2,9,11H2,1H3,(H,22,25)
InChIKeyDRPFEBZHSUVEAF-UHFFFAOYSA-N
XLogP3.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363583) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CCn1cc(Br)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is DRPFEBZHSUVEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-2-24-10-16(20)17(23-24)9-22-19(25)12-3-4-15-14-5-6-21-8-13(14)11-26-18(15)7-12/h3-8,10H,2,9,11H2,1H3,(H,22,25).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).