2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine

C18H19N3 — CID 167838127

IUPAC2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2c(-c3cnc4[nH]ccc4c3)cccc2C1N
InChIInChI=1S/C18H19N3/c1-18(2)9-15-13(4-3-5-14(15)16(18)19)12-8-11-6-7-20-17(11)21-10-12/h3-8,10,16H,9,19H2,1-2H3,(H,20,21)
InChIKeyUDJPXAGTWYEAQG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.81
Rot. Bonds1

About 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine

2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine (PubChem CID 167838127) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine
PubChem CID167838127
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2c(-c3cnc4[nH]ccc4c3)cccc2C1N
InChIInChI=1S/C18H19N3/c1-18(2)9-15-13(4-3-5-14(15)16(18)19)12-8-11-6-7-20-17(11)21-10-12/h3-8,10,16H,9,19H2,1-2H3,(H,20,21)
InChIKeyUDJPXAGTWYEAQG-UHFFFAOYSA-N
XLogP3.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine (CID 167838127) is 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine is CC1(C)Cc2c(-c3cnc4[nH]ccc4c3)cccc2C1N.
What is the InChIKey of 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine?
The InChIKey is UDJPXAGTWYEAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2)9-15-13(4-3-5-14(15)16(18)19)12-8-11-6-7-20-17(11)21-10-12/h3-8,10,16H,9,19H2,1-2H3,(H,20,21).
What are the key properties of 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine?
2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 167838127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).