(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone

C18H15N3O2 — CID 170153111

IUPAC(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESNC1=Cc2cc(C(=O)c3cc4cc(O)ccc4[nH]3)[nH]c2C=CC1
InChIInChI=1S/C18H15N3O2/c19-12-2-1-3-14-10(6-12)8-16(20-14)18(23)17-9-11-7-13(22)4-5-15(11)21-17/h1,3-9,20-22H,2,19H2
InChIKeyWQHYRHNPLPJYIP-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.15
Rot. Bonds2

About (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone

(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone (PubChem CID 170153111) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
PubChem CID170153111
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESNC1=Cc2cc(C(=O)c3cc4cc(O)ccc4[nH]3)[nH]c2C=CC1
InChIInChI=1S/C18H15N3O2/c19-12-2-1-3-14-10(6-12)8-16(20-14)18(23)17-9-11-7-13(22)4-5-15(11)21-17/h1,3-9,20-22H,2,19H2
InChIKeyWQHYRHNPLPJYIP-UHFFFAOYSA-N
XLogP3.15
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone (CID 170153111) is (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone is NC1=Cc2cc(C(=O)c3cc4cc(O)ccc4[nH]3)[nH]c2C=CC1.
What is the InChIKey of (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is WQHYRHNPLPJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-12-2-1-3-14-10(6-12)8-16(20-14)18(23)17-9-11-7-13(22)4-5-15(11)21-17/h1,3-9,20-22H,2,19H2.
What are the key properties of (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone has a molecular weight of 305.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 170153111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).