2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

C17H22N6O — CID 56730012

IUPAC2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCc1nn(C(C)C)c2cnn(CC(=O)NC(C)c3ccncc3)c12
InChIInChI=1S/C17H22N6O/c1-11(2)23-15-9-19-22(17(15)13(4)21-23)10-16(24)20-12(3)14-5-7-18-8-6-14/h5-9,11-12H,10H2,1-4H3,(H,20,24)
InChIKeyDLWTUVNMZQZGHV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.39
Rot. Bonds5

About 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 56730012) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID56730012
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCc1nn(C(C)C)c2cnn(CC(=O)NC(C)c3ccncc3)c12
InChIInChI=1S/C17H22N6O/c1-11(2)23-15-9-19-22(17(15)13(4)21-23)10-16(24)20-12(3)14-5-7-18-8-6-14/h5-9,11-12H,10H2,1-4H3,(H,20,24)
InChIKeyDLWTUVNMZQZGHV-UHFFFAOYSA-N
XLogP2.39
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 16670896
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 91960578
2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 56730014
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960532
2-(4-methyl-9-oxo-7-prop-2-enyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 95798058
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 56730012) is 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is Cc1nn(C(C)C)c2cnn(CC(=O)NC(C)c3ccncc3)c12.
What is the InChIKey of 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is DLWTUVNMZQZGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11(2)23-15-9-19-22(17(15)13(4)21-23)10-16(24)20-12(3)14-5-7-18-8-6-14/h5-9,11-12H,10H2,1-4H3,(H,20,24).
What are the key properties of 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 56730012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).