N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

C19H20N4O2 — CID 136588214

IUPACN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cnc2c(cnn2CC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N4O2/c1-12-7-16-10-21-23(19(16)20-9-12)11-18(24)22-13(2)14-3-4-17-15(8-14)5-6-25-17/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyCNHRXXNMZDDBSH-CYBMUJFWSA-N
MW336.40 g/mol
LogP2.55
Rot. Bonds4

About N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (PubChem CID 136588214) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
PubChem CID136588214
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cnc2c(cnn2CC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N4O2/c1-12-7-16-10-21-23(19(16)20-9-12)11-18(24)22-13(2)14-3-4-17-15(8-14)5-6-25-17/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyCNHRXXNMZDDBSH-CYBMUJFWSA-N
XLogP2.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
CID 166411557
2-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pyrazol-1-yl]acetamide
CID 43783595
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 20880111
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582479
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
CID 136587134
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (CID 136588214) is N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is Cc1cnc2c(cnn2CC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The InChIKey is CNHRXXNMZDDBSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-7-16-10-21-23(19(16)20-9-12)11-18(24)22-13(2)14-3-4-17-15(8-14)5-6-25-17/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 136588214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).