1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride

C19H23ClFN3 — CID 67140947

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21.Cl
InChIInChI=1S/C19H22FN3.ClH/c1-5-23-14(3)13(2)17-10-11-21-19(18(17)23)22(4)12-15-6-8-16(20)9-7-15;/h6-11H,5,12H2,1-4H3;1H
InChIKeyVVPOWICSWDPDFI-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.87
Rot. Bonds4

About 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride

1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride (PubChem CID 67140947) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
PubChem CID67140947
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21.Cl
InChIInChI=1S/C19H22FN3.ClH/c1-5-23-14(3)13(2)17-10-11-21-19(18(17)23)22(4)12-15-6-8-16(20)9-7-15;/h6-11H,5,12H2,1-4H3;1H
InChIKeyVVPOWICSWDPDFI-UHFFFAOYSA-N
XLogP4.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride (CID 67140947) is 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride is CCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21.Cl.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
The InChIKey is VVPOWICSWDPDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3.ClH/c1-5-23-14(3)13(2)17-10-11-21-19(18(17)23)22(4)12-15-6-8-16(20)9-7-15;/h6-11H,5,12H2,1-4H3;1H.
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride?
1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 67140947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).