N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H14N4 — CID 155412163

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2ccc(Nc3ccc4c(n3)CCC4)nc2[nH]1
InChIInChI=1S/C15H14N4/c1-2-10-4-6-13(17-12(10)3-1)18-14-7-5-11-8-9-16-15(11)19-14/h4-9H,1-3H2,(H2,16,17,18,19)
InChIKeySETXIQIEAJIGEH-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.19
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 155412163) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID155412163
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2ccc(Nc3ccc4c(n3)CCC4)nc2[nH]1
InChIInChI=1S/C15H14N4/c1-2-10-4-6-13(17-12(10)3-1)18-14-7-5-11-8-9-16-15(11)19-14/h4-9H,1-3H2,(H2,16,17,18,19)
InChIKeySETXIQIEAJIGEH-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 155412163) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc2ccc(Nc3ccc4c(n3)CCC4)nc2[nH]1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is SETXIQIEAJIGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-10-4-6-13(17-12(10)3-1)18-14-7-5-11-8-9-16-15(11)19-14/h4-9H,1-3H2,(H2,16,17,18,19).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 250.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 155412163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).