trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide

C24H20N4O2 — CID 25206027

IUPACtrans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-22(18-10-17(18)14-5-2-1-3-6-14)27-20-9-15-11-24(12-16(15)13-26-20)19-7-4-8-25-21(19)28-23(24)30/h1-9,13,17-18H,10-12H2,(H,25,28,30)(H,26,27,29)/t17-,18+,24?/m0/s1
InChIKeyQMMILBSMCWMVQG-ZKIJEIRCSA-N
MW396.45 g/mol
LogP3.21
Rot. Bonds3

About trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 25206027) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID25206027
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Nametrans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-22(18-10-17(18)14-5-2-1-3-6-14)27-20-9-15-11-24(12-16(15)13-26-20)19-7-4-8-25-21(19)28-23(24)30/h1-9,13,17-18H,10-12H2,(H,25,28,30)(H,26,27,29)/t17-,18+,24?/m0/s1
InChIKeyQMMILBSMCWMVQG-ZKIJEIRCSA-N
XLogP3.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide (CID 25206027) is trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QMMILBSMCWMVQG-ZKIJEIRCSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-22(18-10-17(18)14-5-2-1-3-6-14)27-20-9-15-11-24(12-16(15)13-26-20)19-7-4-8-25-21(19)28-23(24)30/h1-9,13,17-18H,10-12H2,(H,25,28,30)(H,26,27,29)/t17-,18+,24?/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 25206027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).