N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C28H29N5O3 — CID 55920817

IUPACN-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C1CC1
InChIInChI=1S/C28H29N5O3/c1-17(2)33-27-22(16-30-33)21(15-24(31-27)19-7-10-25-26(14-19)36-13-12-35-25)28(34)32(20-8-9-20)18(3)23-6-4-5-11-29-23/h4-7,10-11,14-18,20H,8-9,12-13H2,1-3H3
InChIKeyBHXIWJFHWMQQIR-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.21
Rot. Bonds6

About N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55920817) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55920817
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C1CC1
InChIInChI=1S/C28H29N5O3/c1-17(2)33-27-22(16-30-33)21(15-24(31-27)19-7-10-25-26(14-19)36-13-12-35-25)28(34)32(20-8-9-20)18(3)23-6-4-5-11-29-23/h4-7,10-11,14-18,20H,8-9,12-13H2,1-3H3
InChIKeyBHXIWJFHWMQQIR-UHFFFAOYSA-N
XLogP5.21
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-methyl-1-propan-2-yl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51960144
N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24595834
(1,3-dioxoisoindol-2-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694705
3-oxobutan-2-yl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43051262
N-(2-anilino-2-oxoethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46418435
[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
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
(1-amino-1-oxopropan-2-yl) 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42932998
[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694486
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
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
(2-anilino-2-oxoethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693749

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55920817) is N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(c1ccccn1)N(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BHXIWJFHWMQQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-17(2)33-27-22(16-30-33)21(15-24(31-27)19-7-10-25-26(14-19)36-13-12-35-25)28(34)32(20-8-9-20)18(3)23-6-4-5-11-29-23/h4-7,10-11,14-18,20H,8-9,12-13H2,1-3H3.
What are the key properties of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55920817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).