3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C18H21N5O — CID 67631416

IUPAC3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)n1
InChIInChI=1S/C18H21N5O/c1-24-17-6-2-5-16(21-17)23-10-8-22(9-11-23)13-14-12-20-18-15(14)4-3-7-19-18/h2-7,12H,8-11,13H2,1H3,(H,19,20)
InChIKeySLSAEGIBVVDAII-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds4

About 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67631416) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67631416
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)n1
InChIInChI=1S/C18H21N5O/c1-24-17-6-2-5-16(21-17)23-10-8-22(9-11-23)13-14-12-20-18-15(14)4-3-7-19-18/h2-7,12H,8-11,13H2,1H3,(H,19,20)
InChIKeySLSAEGIBVVDAII-UHFFFAOYSA-N
XLogP2.29
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane
CID 70347239
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 11957618
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 63590796
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194
2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931286
1-(2-chloroethyl)-4-(6-methoxy-2-pyridinyl)-1,4-diazepane
CID 63587438
1-(4-fluorophenyl)-4-(6-methoxy-2-pyridinyl)piperazine
CID 155976125
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 67631416) is 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)n1.
What is the InChIKey of 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SLSAEGIBVVDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-6-2-5-16(21-17)23-10-8-22(9-11-23)13-14-12-20-18-15(14)4-3-7-19-18/h2-7,12H,8-11,13H2,1H3,(H,19,20).
What are the key properties of 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67631416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).