7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

C23H25N9O — CID 178093095

IUPAC7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccn3c(C(=O)Nc4cc(C(C)(C)C)nn4C)cnc3c2)c2c(N)nccn12
InChIInChI=1S/C23H25N9O/c1-13-27-19(20-21(24)25-7-9-31(13)20)14-6-8-32-15(12-26-17(32)10-14)22(33)28-18-11-16(23(2,3)4)29-30(18)5/h6-12H,1-5H3,(H2,24,25)(H,28,33)
InChIKeyZDWOXVPCAGFCEJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.22
Rot. Bonds3

About 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178093095) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178093095
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccn3c(C(=O)Nc4cc(C(C)(C)C)nn4C)cnc3c2)c2c(N)nccn12
InChIInChI=1S/C23H25N9O/c1-13-27-19(20-21(24)25-7-9-31(13)20)14-6-8-32-15(12-26-17(32)10-14)22(33)28-18-11-16(23(2,3)4)29-30(18)5/h6-12H,1-5H3,(H2,24,25)(H,28,33)
InChIKeyZDWOXVPCAGFCEJ-UHFFFAOYSA-N
XLogP3.22
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178093095) is 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccn3c(C(=O)Nc4cc(C(C)(C)C)nn4C)cnc3c2)c2c(N)nccn12.
What is the InChIKey of 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZDWOXVPCAGFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-13-27-19(20-21(24)25-7-9-31(13)20)14-6-8-32-15(12-26-17(32)10-14)22(33)28-18-11-16(23(2,3)4)29-30(18)5/h6-12H,1-5H3,(H2,24,25)(H,28,33).
What are the key properties of 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178093095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).