2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone

C24H29ClN6O2 — CID 71516515

IUPAC2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1
InChIInChI=1S/C24H29ClN6O2/c1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18/h3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3/t19-,20?/m0/s1
InChIKeyMUEKWFIPSXYTMW-XJDOXCRVSA-N
MW468.99 g/mol
LogP2.83
Rot. Bonds5

About 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone

2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 71516515) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
PubChem CID71516515
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1
InChIInChI=1S/C24H29ClN6O2/c1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18/h3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3/t19-,20?/m0/s1
InChIKeyMUEKWFIPSXYTMW-XJDOXCRVSA-N
XLogP2.83
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone (CID 71516515) is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone is CN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is MUEKWFIPSXYTMW-XJDOXCRVSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18/h3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3/t19-,20?/m0/s1.
What are the key properties of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 468.99 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71516515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).