[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine

C20H25FN4 — CID 69448665

IUPAC[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCc1cc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)cn2CCF
InChIInChI=1S/C20H25FN4/c1-12(2)16-6-5-15(17(10-22)23-16)19-13(3)9-18-20(24-19)14(4)11-25(18)8-7-21/h5-6,9,11-12H,7-8,10,22H2,1-4H3
InChIKeyQTZJMUKXZIGQPY-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.27
Rot. Bonds5

About [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine

[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69448665) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69448665
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCc1cc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)cn2CCF
InChIInChI=1S/C20H25FN4/c1-12(2)16-6-5-15(17(10-22)23-16)19-13(3)9-18-20(24-19)14(4)11-25(18)8-7-21/h5-6,9,11-12H,7-8,10,22H2,1-4H3
InChIKeyQTZJMUKXZIGQPY-UHFFFAOYSA-N
XLogP4.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (CID 69448665) is [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is Cc1cc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)cn2CCF.
What is the InChIKey of [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is QTZJMUKXZIGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c1-12(2)16-6-5-15(17(10-22)23-16)19-13(3)9-18-20(24-19)14(4)11-25(18)8-7-21/h5-6,9,11-12H,7-8,10,22H2,1-4H3.
What are the key properties of [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 340.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69448665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).