4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine

C45H52Cl2N8O4 — CID 159797716

IUPAC4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine
SMILESC1COCCN1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H25ClN4O.C19H18ClN3O2.C4H9NO/c23-17-3-5-18(6-4-17)27-15-20(19-7-11-25-14-21(19)27)16-8-12-26(13-9-16)22(28)2-1-10-24;20-14-1-3-15(4-2-14)23-12-17(16-5-8-21-11-18(16)23)13-6-9-22(10-7-13)19(24)25;1-3-6-4-2-5-1/h3-7,11,14-16H,1-2,8-10,12-13,24H2;1-5,8,11-13H,6-7,9-10H2,(H,24,25);5H,1-4H2
InChIKeyNJJPRPZCWLKRRT-UHFFFAOYSA-N
MW839.87 g/mol
LogP8.27
Rot. Bonds7

About 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine

4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine (PubChem CID 159797716) has the molecular formula C45H52Cl2N8O4 and a molecular weight of 839.87 g/mol. Its IUPAC name is 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine.

Molecular Properties

Compound Name4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine
PubChem CID159797716
Molecular FormulaC45H52Cl2N8O4
Molecular Weight839.87 g/mol
Exact Mass838.35
IUPAC Name4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine
SMILESC1COCCN1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H25ClN4O.C19H18ClN3O2.C4H9NO/c23-17-3-5-18(6-4-17)27-15-20(19-7-11-25-14-21(19)27)16-8-12-26(13-9-16)22(28)2-1-10-24;20-14-1-3-15(4-2-14)23-12-17(16-5-8-21-11-18(16)23)13-6-9-22(10-7-13)19(24)25;1-3-6-4-2-5-1/h3-7,11,14-16H,1-2,8-10,12-13,24H2;1-5,8,11-13H,6-7,9-10H2,(H,24,25);5H,1-4H2
InChIKeyNJJPRPZCWLKRRT-UHFFFAOYSA-N
XLogP8.27
TPSA143.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.87
LogP ≤ 58.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine with MolForge

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Related Compounds

2-Aminoethyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate
CID 53389838
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 71516439
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 71516441
1-[4-[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 89443244
[3-[4-[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid
CID 89511435
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 90412109
N-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;formic acid
CID 121293234
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;formic acid
CID 121293237
N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
CID 129217021
4-[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
CID 144974958
5-Amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone
CID 157070562
2-Amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157217898

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine?
The IUPAC name of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine (CID 159797716) is 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine.
What is the SMILES notation for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine?
The canonical SMILES for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine is C1COCCN1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine?
The InChIKey is NJJPRPZCWLKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O.C19H18ClN3O2.C4H9NO/c23-17-3-5-18(6-4-17)27-15-20(19-7-11-25-14-21(19)27)16-8-12-26(13-9-16)22(28)2-1-10-24;20-14-1-3-15(4-2-14)23-12-17(16-5-8-21-11-18(16)23)13-6-9-22(10-7-13)19(24)25;1-3-6-4-2-5-1/h3-7,11,14-16H,1-2,8-10,12-13,24H2;1-5,8,11-13H,6-7,9-10H2,(H,24,25);5H,1-4H2.
What are the key properties of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine?
4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine has a molecular weight of 839.87 g/mol, XLogP of 8.27, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine is sourced from PubChem (CID 159797716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).