2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C20H21N3 — CID 170958818

IUPAC2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1ccnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C20H21N3/c1-2-6-15-13(4-1)5-3-7-17(15)22-18-10-11-21-20-16(18)12-19(23-20)14-8-9-14/h1-2,4,6,10-12,14,17H,3,5,7-9H2,(H2,21,22,23)
InChIKeyKUMZIVJBCQRZCF-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.93
Rot. Bonds3

About 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 170958818) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID170958818
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1ccnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C20H21N3/c1-2-6-15-13(4-1)5-3-7-17(15)22-18-10-11-21-20-16(18)12-19(23-20)14-8-9-14/h1-2,4,6,10-12,14,17H,3,5,7-9H2,(H2,21,22,23)
InChIKeyKUMZIVJBCQRZCF-UHFFFAOYSA-N
XLogP4.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 170958818) is 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is c1ccc2c(c1)CCCC2Nc1ccnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is KUMZIVJBCQRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-6-15-13(4-1)5-3-7-17(15)22-18-10-11-21-20-16(18)12-19(23-20)14-8-9-14/h1-2,4,6,10-12,14,17H,3,5,7-9H2,(H2,21,22,23).
What are the key properties of 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 170958818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).