1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one

C20H28N4O — CID 167646867

IUPAC1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)n1ncc2c(C(=O)CCCN3CCCC3)cc(C3CC3)nc21
InChIInChI=1S/C20H28N4O/c1-14(2)24-20-17(13-21-24)16(12-18(22-20)15-7-8-15)19(25)6-5-11-23-9-3-4-10-23/h12-15H,3-11H2,1-2H3
InChIKeyPZRVLTGVSSFQHI-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.95
Rot. Bonds7

About 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one

1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one (PubChem CID 167646867) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one
PubChem CID167646867
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)n1ncc2c(C(=O)CCCN3CCCC3)cc(C3CC3)nc21
InChIInChI=1S/C20H28N4O/c1-14(2)24-20-17(13-21-24)16(12-18(22-20)15-7-8-15)19(25)6-5-11-23-9-3-4-10-23/h12-15H,3-11H2,1-2H3
InChIKeyPZRVLTGVSSFQHI-UHFFFAOYSA-N
XLogP3.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
CID 166415736
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 17458792
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270
6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39947795
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one (CID 167646867) is 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one is CC(C)n1ncc2c(C(=O)CCCN3CCCC3)cc(C3CC3)nc21.
What is the InChIKey of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one?
The InChIKey is PZRVLTGVSSFQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)24-20-17(13-21-24)16(12-18(22-20)15-7-8-15)19(25)6-5-11-23-9-3-4-10-23/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one?
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 167646867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).