2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C22H24N6O2 — CID 177160357

IUPAC2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cnc(N)c2c(-c3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]nc12
InChIInChI=1S/C22H24N6O2/c1-12-11-24-21(23)18-19(12)26-27-20(18)14-7-5-13(6-8-14)9-17(29)25-16-10-15(30-28-16)22(2,3)4/h5-8,10-11H,9H2,1-4H3,(H2,23,24)(H,26,27)(H,25,28,29)
InChIKeyUHLOPSVVMZBVPB-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 177160357) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
PubChem CID177160357
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cnc(N)c2c(-c3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]nc12
InChIInChI=1S/C22H24N6O2/c1-12-11-24-21(23)18-19(12)26-27-20(18)14-7-5-13(6-8-14)9-17(29)25-16-10-15(30-28-16)22(2,3)4/h5-8,10-11H,9H2,1-4H3,(H2,23,24)(H,26,27)(H,25,28,29)
InChIKeyUHLOPSVVMZBVPB-UHFFFAOYSA-N
XLogP3.98
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
CID 162340095
2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 88541866
2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66968381
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967674
2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967989
(E)-9-[4-amino-3-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridin-7-yl]-1-piperidin-1-ylnon-8-en-1-one;formamide
CID 168934448
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030541
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 59420631
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 54761700
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 177160357) is 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is Cc1cnc(N)c2c(-c3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]nc12.
What is the InChIKey of 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UHLOPSVVMZBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-12-11-24-21(23)18-19(12)26-27-20(18)14-7-5-13(6-8-14)9-17(29)25-16-10-15(30-28-16)22(2,3)4/h5-8,10-11H,9H2,1-4H3,(H2,23,24)(H,26,27)(H,25,28,29).
What are the key properties of 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 177160357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).