(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

C19H24FN3 — CID 137443164

IUPAC(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC[C@H](c1cccc(F)c1)N1CC(C)(C)c2ncccc21
InChIInChI=1S/C19H24FN3/c1-19(2)13-23(17-8-5-10-22-18(17)19)16(9-11-21-3)14-6-4-7-15(20)12-14/h4-8,10,12,16,21H,9,11,13H2,1-3H3/t16-/m1/s1
InChIKeyMQSNQAHEKWJWTN-MRXNPFEDSA-N
MW313.42 g/mol
LogP3.67
Rot. Bonds5

About (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 137443164) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID137443164
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC[C@H](c1cccc(F)c1)N1CC(C)(C)c2ncccc21
InChIInChI=1S/C19H24FN3/c1-19(2)13-23(17-8-5-10-22-18(17)19)16(9-11-21-3)14-6-4-7-15(20)12-14/h4-8,10,12,16,21H,9,11,13H2,1-3H3/t16-/m1/s1
InChIKeyMQSNQAHEKWJWTN-MRXNPFEDSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 137443164) is (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC[C@H](c1cccc(F)c1)N1CC(C)(C)c2ncccc21.
What is the InChIKey of (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is MQSNQAHEKWJWTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN3/c1-19(2)13-23(17-8-5-10-22-18(17)19)16(9-11-21-3)14-6-4-7-15(20)12-14/h4-8,10,12,16,21H,9,11,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 313.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 137443164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).