[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane

C20H28N6OSn — CID 70347239

IUPAC[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane
SMILESCOc1nnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1[Sn](C)(C)C
InChIInChI=1S/C17H19N6O.3CH3.Sn/c1-24-16-5-4-15(20-21-16)23-9-7-22(8-10-23)12-13-11-19-17-14(13)3-2-6-18-17;;;;/h2-4,6,11H,7-10,12H2,1H3,(H,18,19);3*1H3;
InChIKeyKGTWKUPLVFOMGE-UHFFFAOYSA-N
MW487.20 g/mol
LogP2.23
Rot. Bonds5

About [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane

[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane (PubChem CID 70347239) has the molecular formula C20H28N6OSn and a molecular weight of 487.20 g/mol. Its IUPAC name is [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane.

Molecular Properties

Compound Name[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane
PubChem CID70347239
Molecular FormulaC20H28N6OSn
Molecular Weight487.20 g/mol
Exact Mass488.13
IUPAC Name[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane
SMILESCOc1nnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1[Sn](C)(C)C
InChIInChI=1S/C17H19N6O.3CH3.Sn/c1-24-16-5-4-15(20-21-16)23-9-7-22(8-10-23)12-13-11-19-17-14(13)3-2-6-18-17;;;;/h2-4,6,11H,7-10,12H2,1H3,(H,18,19);3*1H3;
InChIKeyKGTWKUPLVFOMGE-UHFFFAOYSA-N
XLogP2.23
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane?
The IUPAC name of [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane (CID 70347239) is [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane.
What is the SMILES notation for [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane?
The canonical SMILES for [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane is COc1nnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1[Sn](C)(C)C.
What is the InChIKey of [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane?
The InChIKey is KGTWKUPLVFOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N6O.3CH3.Sn/c1-24-16-5-4-15(20-21-16)23-9-7-22(8-10-23)12-13-11-19-17-14(13)3-2-6-18-17;;;;/h2-4,6,11H,7-10,12H2,1H3,(H,18,19);3*1H3;.
What are the key properties of [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane?
[3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane has a molecular weight of 487.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-4-yl]-trimethylstannane is sourced from PubChem (CID 70347239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).