N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide

C32H27F3N8O2 — CID 156758720

IUPACN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
SMILESNc1nccn2c(C34CCC(NC(=O)c5cccnc5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C32H27F3N8O2/c33-32(34,35)22-7-13-38-23(16-22)40-27(44)20-5-3-19(4-6-20)24-25-26(36)39-14-15-43(25)29(41-24)30-8-10-31(18-30,11-9-30)42-28(45)21-2-1-12-37-17-21/h1-7,12-17H,8-11,18H2,(H2,36,39)(H,42,45)(H,38,40,44)
InChIKeyFUQTVCQBJWMWPV-UHFFFAOYSA-N
MW612.62 g/mol
LogP5.42
Rot. Bonds6

About N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide

N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide (PubChem CID 156758720) has the molecular formula C32H27F3N8O2 and a molecular weight of 612.62 g/mol. Its IUPAC name is N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
PubChem CID156758720
Molecular FormulaC32H27F3N8O2
Molecular Weight612.62 g/mol
Exact Mass612.22
IUPAC NameN-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
SMILESNc1nccn2c(C34CCC(NC(=O)c5cccnc5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C32H27F3N8O2/c33-32(34,35)22-7-13-38-23(16-22)40-27(44)20-5-3-19(4-6-20)24-25-26(36)39-14-15-43(25)29(41-24)30-8-10-31(18-30,11-9-30)42-28(45)21-2-1-12-37-17-21/h1-7,12-17H,8-11,18H2,(H2,36,39)(H,42,45)(H,38,40,44)
InChIKeyFUQTVCQBJWMWPV-UHFFFAOYSA-N
XLogP5.42
TPSA140.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.62
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide (CID 156758720) is N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide is Nc1nccn2c(C34CCC(NC(=O)c5cccnc5)(CC3)C4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The InChIKey is FUQTVCQBJWMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N8O2/c33-32(34,35)22-7-13-38-23(16-22)40-27(44)20-5-3-19(4-6-20)24-25-26(36)39-14-15-43(25)29(41-24)30-8-10-31(18-30,11-9-30)42-28(45)21-2-1-12-37-17-21/h1-7,12-17H,8-11,18H2,(H2,36,39)(H,42,45)(H,38,40,44).
What are the key properties of N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide has a molecular weight of 612.62 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide is sourced from PubChem (CID 156758720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).