N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C26H23N5O2 — CID 121363816

IUPACN-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(-c2cnc3n2CCNC3)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C26H23N5O2/c32-26(19-4-5-22-21-6-7-27-13-20(21)16-33-24(22)11-19)30-12-17-2-1-3-18(10-17)23-14-29-25-15-28-8-9-31(23)25/h1-7,10-11,13-14,28H,8-9,12,15-16H2,(H,30,32)
InChIKeyJNTWFPLDVSBXRN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.54
Rot. Bonds4

About N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363816) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363816
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(-c2cnc3n2CCNC3)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C26H23N5O2/c32-26(19-4-5-22-21-6-7-27-13-20(21)16-33-24(22)11-19)30-12-17-2-1-3-18(10-17)23-14-29-25-15-28-8-9-31(23)25/h1-7,10-11,13-14,28H,8-9,12,15-16H2,(H,30,32)
InChIKeyJNTWFPLDVSBXRN-UHFFFAOYSA-N
XLogP3.54
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363816) is N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cccc(-c2cnc3n2CCNC3)c1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is JNTWFPLDVSBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-26(19-4-5-22-21-6-7-27-13-20(21)16-33-24(22)11-19)30-12-17-2-1-3-18(10-17)23-14-29-25-15-28-8-9-31(23)25/h1-7,10-11,13-14,28H,8-9,12,15-16H2,(H,30,32).
What are the key properties of N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).