N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide

C39H34N8O5 — CID 163249298

IUPACN-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCn5cncc5C4)cc3)n2)cc1OCc1ccccc1
InChIInChI=1S/C39H34N8O5/c1-50-35-20-32(41-39(49)37-21-33(48)30-9-5-6-10-34(30)52-37)31(19-36(35)51-24-27-7-3-2-4-8-27)38-42-44-47(43-38)28-13-11-26(12-14-28)15-16-45-17-18-46-25-40-22-29(46)23-45/h2-14,19-22,25H,15-18,23-24H2,1H3,(H,41,49)
InChIKeyUDDZMWUDZQHVIG-UHFFFAOYSA-N
MW694.75 g/mol
LogP5.53
Rot. Bonds11

About N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide

N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide (PubChem CID 163249298) has the molecular formula C39H34N8O5 and a molecular weight of 694.75 g/mol. Its IUPAC name is N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide
PubChem CID163249298
Molecular FormulaC39H34N8O5
Molecular Weight694.75 g/mol
Exact Mass694.27
IUPAC NameN-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCn5cncc5C4)cc3)n2)cc1OCc1ccccc1
InChIInChI=1S/C39H34N8O5/c1-50-35-20-32(41-39(49)37-21-33(48)30-9-5-6-10-34(30)52-37)31(19-36(35)51-24-27-7-3-2-4-8-27)38-42-44-47(43-38)28-13-11-26(12-14-28)15-16-45-17-18-46-25-40-22-29(46)23-45/h2-14,19-22,25H,15-18,23-24H2,1H3,(H,41,49)
InChIKeyUDDZMWUDZQHVIG-UHFFFAOYSA-N
XLogP5.53
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide (CID 163249298) is N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide is COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(-c2nnn(-c3ccc(CCN4CCn5cncc5C4)cc3)n2)cc1OCc1ccccc1.
What is the InChIKey of N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is UDDZMWUDZQHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N8O5/c1-50-35-20-32(41-39(49)37-21-33(48)30-9-5-6-10-34(30)52-37)31(19-36(35)51-24-27-7-3-2-4-8-27)38-42-44-47(43-38)28-13-11-26(12-14-28)15-16-45-17-18-46-25-40-22-29(46)23-45/h2-14,19-22,25H,15-18,23-24H2,1H3,(H,41,49).
What are the key properties of N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide?
N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 694.75 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 163249298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).