[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

C24H32N6O2 — CID 110264661

IUPAC[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12
InChIInChI=1S/C24H32N6O2/c1-16(2)25-22-19-11-12-20(26-23(19)28-27-22)21-6-5-13-30(21)24(31)17-7-9-18(10-8-17)32-15-14-29(3)4/h7-12,16,21H,5-6,13-15H2,1-4H3,(H2,25,26,27,28)
InChIKeyGAQRXDTZKWIFQI-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.70
Rot. Bonds8

About [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (PubChem CID 110264661) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
PubChem CID110264661
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12
InChIInChI=1S/C24H32N6O2/c1-16(2)25-22-19-11-12-20(26-23(19)28-27-22)21-6-5-13-30(21)24(31)17-7-9-18(10-8-17)32-15-14-29(3)4/h7-12,16,21H,5-6,13-15H2,1-4H3,(H2,25,26,27,28)
InChIKeyGAQRXDTZKWIFQI-UHFFFAOYSA-N
XLogP3.70
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (CID 110264661) is [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is CC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GAQRXDTZKWIFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-16(2)25-22-19-11-12-20(26-23(19)28-27-22)21-6-5-13-30(21)24(31)17-7-9-18(10-8-17)32-15-14-29(3)4/h7-12,16,21H,5-6,13-15H2,1-4H3,(H2,25,26,27,28).
What are the key properties of [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]phenyl]-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110264661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).