[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C26H33N5O3S — CID 134030106

IUPAC[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c2cnn(C(C)C)c2n1
InChIInChI=1S/C26H33N5O3S/c1-17(2)23-15-21(22-16-27-31(18(3)4)25(22)28-23)26(32)30-13-7-8-19-14-20(9-10-24(19)30)35(33,34)29-11-5-6-12-29/h9-10,14-18H,5-8,11-13H2,1-4H3
InChIKeyNWNUAEUJVMQPSF-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.51
Rot. Bonds5

About [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 134030106) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID134030106
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c2cnn(C(C)C)c2n1
InChIInChI=1S/C26H33N5O3S/c1-17(2)23-15-21(22-16-27-31(18(3)4)25(22)28-23)26(32)30-13-7-8-19-14-20(9-10-24(19)30)35(33,34)29-11-5-6-12-29/h9-10,14-18H,5-8,11-13H2,1-4H3
InChIKeyNWNUAEUJVMQPSF-UHFFFAOYSA-N
XLogP4.51
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 154737874
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30436259
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16574118
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541509
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 17481606
1-methyl-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridin-2-one
CID 55574428
1-[6-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113072690
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55604073
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18132704
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 52529673

Frequently Asked Questions

What is the IUPAC name of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 134030106) is [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c2cnn(C(C)C)c2n1.
What is the InChIKey of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NWNUAEUJVMQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-17(2)23-15-21(22-16-27-31(18(3)4)25(22)28-23)26(32)30-13-7-8-19-14-20(9-10-24(19)30)35(33,34)29-11-5-6-12-29/h9-10,14-18H,5-8,11-13H2,1-4H3.
What are the key properties of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 495.65 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 134030106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).