N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O3 — CID 30476728

IUPACN-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C22H26N4O3/c1-5-14(4)24-22(27)16-11-18(25-21-17(16)12-23-26(21)13(2)3)15-6-7-19-20(10-15)29-9-8-28-19/h6-7,10-14H,5,8-9H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyCNBZSQIIBJRBTJ-CQSZACIVSA-N
MW394.48 g/mol
LogP3.98
Rot. Bonds5

About N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30476728) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30476728
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C22H26N4O3/c1-5-14(4)24-22(27)16-11-18(25-21-17(16)12-23-26(21)13(2)3)15-6-7-19-20(10-15)29-9-8-28-19/h6-7,10-14H,5,8-9H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyCNBZSQIIBJRBTJ-CQSZACIVSA-N
XLogP3.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486032
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55517859
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622151
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55656638
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835400
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55506689
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486998
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594865
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 18135831

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30476728) is N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CNBZSQIIBJRBTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-5-14(4)24-22(27)16-11-18(25-21-17(16)12-23-26(21)13(2)3)15-6-7-19-20(10-15)29-9-8-28-19/h6-7,10-14H,5,8-9H2,1-4H3,(H,24,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30476728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).