4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile

C27H29N7O — CID 118647543

IUPAC4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCCOc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3cncn23)cn1
InChIInChI=1S/C27H29N7O/c1-4-35-24-10-9-21(16-30-24)26-25(20-7-5-19(15-28)6-8-20)31-27(23-17-29-18-34(23)26)33-13-11-22(12-14-33)32(2)3/h5-10,16-18,22H,4,11-14H2,1-3H3
InChIKeyZNVLNNNZZQQQOO-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.26
Rot. Bonds6

About 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile

4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile (PubChem CID 118647543) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
PubChem CID118647543
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCCOc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3cncn23)cn1
InChIInChI=1S/C27H29N7O/c1-4-35-24-10-9-21(16-30-24)26-25(20-7-5-19(15-28)6-8-20)31-27(23-17-29-18-34(23)26)33-13-11-22(12-14-33)32(2)3/h5-10,16-18,22H,4,11-14H2,1-3H3
InChIKeyZNVLNNNZZQQQOO-UHFFFAOYSA-N
XLogP4.26
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile (CID 118647543) is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile is CCOc1ccc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3cncn23)cn1.
What is the InChIKey of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The InChIKey is ZNVLNNNZZQQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-4-35-24-10-9-21(16-30-24)26-25(20-7-5-19(15-28)6-8-20)31-27(23-17-29-18-34(23)26)33-13-11-22(12-14-33)32(2)3/h5-10,16-18,22H,4,11-14H2,1-3H3.
What are the key properties of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile has a molecular weight of 467.58 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118647543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).