5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid

C33H28Br2N10O2 — CID 146190474

IUPAC5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid
SMILESNc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1.O=C(O)Nc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1
InChIInChI=1S/C17H14BrN5O2.C16H14BrN5/c18-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(19-6-10)23-17(24)25;17-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(18)19-6-10/h2,4-8,12H,1,3H2,(H,19,23)(H,21,22)(H,24,25);2,4-8,12H,1,3H2,(H2,18,19)(H,21,22)
InChIKeyJGNIYSYCHDWPGO-UHFFFAOYSA-N
MW756.46 g/mol
LogP7.09
Rot. Bonds5

About 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid

5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid (PubChem CID 146190474) has the molecular formula C33H28Br2N10O2 and a molecular weight of 756.46 g/mol. Its IUPAC name is 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid
PubChem CID146190474
Molecular FormulaC33H28Br2N10O2
Molecular Weight756.46 g/mol
Exact Mass754.08
IUPAC Name5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid
SMILESNc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1.O=C(O)Nc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1
InChIInChI=1S/C17H14BrN5O2.C16H14BrN5/c18-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(19-6-10)23-17(24)25;17-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(18)19-6-10/h2,4-8,12H,1,3H2,(H,19,23)(H,21,22)(H,24,25);2,4-8,12H,1,3H2,(H2,18,19)(H,21,22)
InChIKeyJGNIYSYCHDWPGO-UHFFFAOYSA-N
XLogP7.09
TPSA184.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.46
LogP ≤ 57.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid (CID 146190474) is 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid is Nc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1.O=C(O)Nc1ccc(-c2cnc(C3CCc4cc(Br)cnc43)[nH]2)cn1.
What is the InChIKey of 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?
The InChIKey is JGNIYSYCHDWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2.C16H14BrN5/c18-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(19-6-10)23-17(24)25;17-11-5-9-1-3-12(15(9)20-7-11)16-21-8-13(22-16)10-2-4-14(18)19-6-10/h2,4-8,12H,1,3H2,(H,19,23)(H,21,22)(H,24,25);2,4-8,12H,1,3H2,(H2,18,19)(H,21,22).
What are the key properties of 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?
5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid has a molecular weight of 756.46 g/mol, XLogP of 7.09, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]pyridin-2-amine;[5-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 146190474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).