ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate

C46H56N10O7 — CID 167448960

IUPACethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate
SMILESCC.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCC(O)C4)cnc32)c1.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C22H25N5O4.C22H25N5O3.C2H6/c1-3-31-22(30)25(2)17-10-18(13-23-12-17)27-8-6-15-9-16(11-24-20(15)27)21(29)26-7-4-5-19(28)14-26;1-3-30-22(29)25(2)18-12-19(15-23-14-18)27-10-7-16-11-17(13-24-20(16)27)21(28)26-8-5-4-6-9-26;1-2/h6,8-13,19,28H,3-5,7,14H2,1-2H3;7,10-15H,3-6,8-9H2,1-2H3;1-2H3
InChIKeyWMOYIHZRSBJWPA-UHFFFAOYSA-N
MW861.02 g/mol
LogP7.28
Rot. Bonds8

About ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate

ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate (PubChem CID 167448960) has the molecular formula C46H56N10O7 and a molecular weight of 861.02 g/mol. Its IUPAC name is ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate
PubChem CID167448960
Molecular FormulaC46H56N10O7
Molecular Weight861.02 g/mol
Exact Mass860.43
IUPAC Nameethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate
SMILESCC.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCC(O)C4)cnc32)c1.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C22H25N5O4.C22H25N5O3.C2H6/c1-3-31-22(30)25(2)17-10-18(13-23-12-17)27-8-6-15-9-16(11-24-20(15)27)21(29)26-7-4-5-19(28)14-26;1-3-30-22(29)25(2)18-12-19(15-23-14-18)27-10-7-16-11-17(13-24-20(16)27)21(28)26-8-5-4-6-9-26;1-2/h6,8-13,19,28H,3-5,7,14H2,1-2H3;7,10-15H,3-6,8-9H2,1-2H3;1-2H3
InChIKeyWMOYIHZRSBJWPA-UHFFFAOYSA-N
XLogP7.28
TPSA181.35 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500861.02
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate with MolForge

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Related Compounds

[5-[5-[(3S)-3-ethylpiperidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl] carbamate
CID 175586966
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 164969812
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
N,N-dimethyl-4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-(2-methoxyethyl)-4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;N-methyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 165021948
4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
CID 156811294
carbon dioxide;[(3S)-3-methylpiperidin-1-yl]-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)methanone;sulfane
CID 165105605
[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]boronic acid
CID 167448824
N-[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 167448904

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate (CID 167448960) is ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate is CC.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCC(O)C4)cnc32)c1.CCOC(=O)N(C)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is WMOYIHZRSBJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4.C22H25N5O3.C2H6/c1-3-31-22(30)25(2)17-10-18(13-23-12-17)27-8-6-15-9-16(11-24-20(15)27)21(29)26-7-4-5-19(28)14-26;1-3-30-22(29)25(2)18-12-19(15-23-14-18)27-10-7-16-11-17(13-24-20(16)27)21(28)26-8-5-4-6-9-26;1-2/h6,8-13,19,28H,3-5,7,14H2,1-2H3;7,10-15H,3-6,8-9H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate?
ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 861.02 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 167448960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).