N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine

C19H22FN3 — CID 68700194

IUPACN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine
SMILESCCCn1c(C)c(C)c2nccc(NCc3ccc(F)cc3)c21
InChIInChI=1S/C19H22FN3/c1-4-11-23-14(3)13(2)18-19(23)17(9-10-21-18)22-12-15-5-7-16(20)8-6-15/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyNAZSKMBCVVFIMK-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.81
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine

N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine (PubChem CID 68700194) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine
PubChem CID68700194
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine
SMILESCCCn1c(C)c(C)c2nccc(NCc3ccc(F)cc3)c21
InChIInChI=1S/C19H22FN3/c1-4-11-23-14(3)13(2)18-19(23)17(9-10-21-18)22-12-15-5-7-16(20)8-6-15/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyNAZSKMBCVVFIMK-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine (CID 68700194) is N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine is CCCn1c(C)c(C)c2nccc(NCc3ccc(F)cc3)c21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine?
The InChIKey is NAZSKMBCVVFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-4-11-23-14(3)13(2)18-19(23)17(9-10-21-18)22-12-15-5-7-16(20)8-6-15/h5-10H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine?
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 311.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-propylpyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 68700194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).