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

C17H20N6 — CID 171795639

IUPAC7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESCc1cc(Nc2cc(N3CCNCC3)ccn2)nc2cc[nH]c12
InChIInChI=1S/C17H20N6/c1-12-10-16(21-14-3-5-20-17(12)14)22-15-11-13(2-4-19-15)23-8-6-18-7-9-23/h2-5,10-11,18,20H,6-9H2,1H3,(H,19,21,22)
InChIKeyJXLPDZIWUAACSY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.42
Rot. Bonds3

About 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine

7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 171795639) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine
PubChem CID171795639
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESCc1cc(Nc2cc(N3CCNCC3)ccn2)nc2cc[nH]c12
InChIInChI=1S/C17H20N6/c1-12-10-16(21-14-3-5-20-17(12)14)22-15-11-13(2-4-19-15)23-8-6-18-7-9-23/h2-5,10-11,18,20H,6-9H2,1H3,(H,19,21,22)
InChIKeyJXLPDZIWUAACSY-UHFFFAOYSA-N
XLogP2.42
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine with MolForge

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Related Compounds

N-(4-piperazin-1-yl-2-pyridinyl)-1,6-naphthyridin-2-amine
CID 171795758
2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 84682986
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride
CID 67087405
8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 171795723
2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
CID 146276335
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945651
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
CID 76709089
4-(1,1-dioxo-1,4-thiazepan-4-yl)-N-methylpyridin-2-amine
CID 114083844

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 171795639) is 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine is Cc1cc(Nc2cc(N3CCNCC3)ccn2)nc2cc[nH]c12.
What is the InChIKey of 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is JXLPDZIWUAACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-10-16(21-14-3-5-20-17(12)14)22-15-11-13(2-4-19-15)23-8-6-18-7-9-23/h2-5,10-11,18,20H,6-9H2,1H3,(H,19,21,22).
What are the key properties of 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine?
7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 308.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 171795639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).