N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide

C17H18N6O — CID 134293178

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
SMILESO=CNc1cnc2[nH]c(-c3ccnc(N4CCNCC4)c3)cc2c1
InChIInChI=1S/C17H18N6O/c24-11-21-14-7-13-8-15(22-17(13)20-10-14)12-1-2-19-16(9-12)23-5-3-18-4-6-23/h1-2,7-11,18H,3-6H2,(H,20,22)(H,21,24)
InChIKeyBXALQWAQQAMRLQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide

N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide (PubChem CID 134293178) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
PubChem CID134293178
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
SMILESO=CNc1cnc2[nH]c(-c3ccnc(N4CCNCC4)c3)cc2c1
InChIInChI=1S/C17H18N6O/c24-11-21-14-7-13-8-15(22-17(13)20-10-14)12-1-2-19-16(9-12)23-5-3-18-4-6-23/h1-2,7-11,18H,3-6H2,(H,20,22)(H,21,24)
InChIKeyBXALQWAQQAMRLQ-UHFFFAOYSA-N
XLogP1.60
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide with MolForge

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Related Compounds

1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
1-(4-ethynyl-2-pyridinyl)piperazine
CID 131627287
3-ethynyl-5-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 160710902
2-piperazin-1-yl-5-[2-[(E)-2-pyridin-2-ylethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 141199785
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
5-(2-piperazin-1-yl-4-pyridinyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 167796693
(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24958988
5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 167878204
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
ethane;1-(4-ethenyl-2-pyridinyl)piperazine
CID 142364779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide (CID 134293178) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide is O=CNc1cnc2[nH]c(-c3ccnc(N4CCNCC4)c3)cc2c1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?
The InChIKey is BXALQWAQQAMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-11-21-14-7-13-8-15(22-17(13)20-10-14)12-1-2-19-16(9-12)23-5-3-18-4-6-23/h1-2,7-11,18H,3-6H2,(H,20,22)(H,21,24).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide has a molecular weight of 322.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide is sourced from PubChem (CID 134293178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).