4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide

C29H28F3N7O4 — CID 71225623

IUPAC4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide
SMILESCC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(OC(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1
InChIInChI=1S/C29H28F3N7O4/c1-29(14-42-15-29)27(41)38-9-2-3-17(13-38)25-37-22(23-24(33)35-8-10-39(23)25)19-5-4-16(11-20(19)30)26(40)36-21-12-18(6-7-34-21)43-28(31)32/h4-8,10-12,17,28H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1
InChIKeyVONKFEMUWRJVRF-QGZVFWFLSA-N
MW595.58 g/mol
LogP4.11
Rot. Bonds7

About 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide

4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide (PubChem CID 71225623) has the molecular formula C29H28F3N7O4 and a molecular weight of 595.58 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide
PubChem CID71225623
Molecular FormulaC29H28F3N7O4
Molecular Weight595.58 g/mol
Exact Mass595.22
IUPAC Name4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide
SMILESCC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(OC(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1
InChIInChI=1S/C29H28F3N7O4/c1-29(14-42-15-29)27(41)38-9-2-3-17(13-38)25-37-22(23-24(33)35-8-10-39(23)25)19-5-4-16(11-20(19)30)26(40)36-21-12-18(6-7-34-21)43-28(31)32/h4-8,10-12,17,28H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1
InChIKeyVONKFEMUWRJVRF-QGZVFWFLSA-N
XLogP4.11
TPSA136.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide (CID 71225623) is 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide is CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(OC(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1.
What is the InChIKey of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is VONKFEMUWRJVRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C29H28F3N7O4/c1-29(14-42-15-29)27(41)38-9-2-3-17(13-38)25-37-22(23-24(33)35-8-10-39(23)25)19-5-4-16(11-20(19)30)26(40)36-21-12-18(6-7-34-21)43-28(31)32/h4-8,10-12,17,28H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1.
What are the key properties of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide?
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 595.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(difluoromethoxy)-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 71225623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).