4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide

C28H34N8O3 — CID 71235578

IUPAC4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide
SMILESNC1=NCCn2c(N3CCCC(C(=O)N4CCOCC4)C3)nc(C3=CCC(C(=O)Nc4ccccn4)C=C3)c21
InChIInChI=1S/C28H34N8O3/c29-25-24-23(19-6-8-20(9-7-19)26(37)32-22-5-1-2-10-30-22)33-28(36(24)13-11-31-25)35-12-3-4-21(18-35)27(38)34-14-16-39-17-15-34/h1-2,5-8,10,20-21H,3-4,9,11-18H2,(H2,29,31)(H,30,32,37)
InChIKeyUQLGZAOQGDZGRM-UHFFFAOYSA-N
MW530.63 g/mol
LogP1.67
Rot. Bonds5

About 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide

4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 71235578) has the molecular formula C28H34N8O3 and a molecular weight of 530.63 g/mol. Its IUPAC name is 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID71235578
Molecular FormulaC28H34N8O3
Molecular Weight530.63 g/mol
Exact Mass530.28
IUPAC Name4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide
SMILESNC1=NCCn2c(N3CCCC(C(=O)N4CCOCC4)C3)nc(C3=CCC(C(=O)Nc4ccccn4)C=C3)c21
InChIInChI=1S/C28H34N8O3/c29-25-24-23(19-6-8-20(9-7-19)26(37)32-22-5-1-2-10-30-22)33-28(36(24)13-11-31-25)35-12-3-4-21(18-35)27(38)34-14-16-39-17-15-34/h1-2,5-8,10,20-21H,3-4,9,11-18H2,(H2,29,31)(H,30,32,37)
InChIKeyUQLGZAOQGDZGRM-UHFFFAOYSA-N
XLogP1.67
TPSA130.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide (CID 71235578) is 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide is NC1=NCCn2c(N3CCCC(C(=O)N4CCOCC4)C3)nc(C3=CCC(C(=O)Nc4ccccn4)C=C3)c21.
What is the InChIKey of 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is UQLGZAOQGDZGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3/c29-25-24-23(19-6-8-20(9-7-19)26(37)32-22-5-1-2-10-30-22)33-28(36(24)13-11-31-25)35-12-3-4-21(18-35)27(38)34-14-16-39-17-15-34/h1-2,5-8,10,20-21H,3-4,9,11-18H2,(H2,29,31)(H,30,32,37).
What are the key properties of 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide?
4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-5,6-dihydroimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 71235578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).