5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

C20H22ClN5O3 — CID 11407365

IUPAC5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2nccc(Cl)c21
InChIInChI=1S/C20H22ClN5O3/c1-12-10-16(20(28)23-4-5-26-6-8-29-9-7-26)24-15(12)11-13-17-14(21)2-3-22-18(17)25-19(13)27/h2-3,10-11,24H,4-9H2,1H3,(H,23,28)(H,22,25,27)/b13-11-
InChIKeyUGZVAFJUIARJIZ-QBFSEMIESA-N
MW415.88 g/mol
LogP1.93
Rot. Bonds5

About 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 11407365) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID11407365
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2nccc(Cl)c21
InChIInChI=1S/C20H22ClN5O3/c1-12-10-16(20(28)23-4-5-26-6-8-29-9-7-26)24-15(12)11-13-17-14(21)2-3-22-18(17)25-19(13)27/h2-3,10-11,24H,4-9H2,1H3,(H,23,28)(H,22,25,27)/b13-11-
InChIKeyUGZVAFJUIARJIZ-QBFSEMIESA-N
XLogP1.93
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (CID 11407365) is 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2nccc(Cl)c21.
What is the InChIKey of 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is UGZVAFJUIARJIZ-QBFSEMIESA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-12-10-16(20(28)23-4-5-26-6-8-29-9-7-26)24-15(12)11-13-17-14(21)2-3-22-18(17)25-19(13)27/h2-3,10-11,24H,4-9H2,1H3,(H,23,28)(H,22,25,27)/b13-11-.
What are the key properties of 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(4-chloro-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11407365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).