3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

C29H33N5O2 — CID 129096230

IUPAC3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCc1cc(CN2CC3CC3C2=O)ccc1Cn1cc(C(=O)CCCC2CCc3nc(N)ccc32)cn1
InChIInChI=1S/C29H33N5O2/c1-18-11-19(14-33-15-22-12-25(22)29(33)36)5-6-21(18)16-34-17-23(13-31-34)27(35)4-2-3-20-7-9-26-24(20)8-10-28(30)32-26/h5-6,8,10-11,13,17,20,22,25H,2-4,7,9,12,14-16H2,1H3,(H2,30,32)
InChIKeyUURKEFMMNMWAGX-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.28
Rot. Bonds9

About 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 129096230) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID129096230
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCc1cc(CN2CC3CC3C2=O)ccc1Cn1cc(C(=O)CCCC2CCc3nc(N)ccc32)cn1
InChIInChI=1S/C29H33N5O2/c1-18-11-19(14-33-15-22-12-25(22)29(33)36)5-6-21(18)16-34-17-23(13-31-34)27(35)4-2-3-20-7-9-26-24(20)8-10-28(30)32-26/h5-6,8,10-11,13,17,20,22,25H,2-4,7,9,12,14-16H2,1H3,(H2,30,32)
InChIKeyUURKEFMMNMWAGX-UHFFFAOYSA-N
XLogP4.28
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

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CID 135362185
CID 135362185
CID 140932736
CID 140932736
CID 166595555
CID 166595555
CID 162652868
CID 162652868
CID 162666060
CID 162666060
CID 168271992
CID 168271992
CID 168273903
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CID 168274073
CID 168274073

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 129096230) is 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is Cc1cc(CN2CC3CC3C2=O)ccc1Cn1cc(C(=O)CCCC2CCc3nc(N)ccc32)cn1.
What is the InChIKey of 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is UURKEFMMNMWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-18-11-19(14-33-15-22-12-25(22)29(33)36)5-6-21(18)16-34-17-23(13-31-34)27(35)4-2-3-20-7-9-26-24(20)8-10-28(30)32-26/h5-6,8,10-11,13,17,20,22,25H,2-4,7,9,12,14-16H2,1H3,(H2,30,32).
What are the key properties of 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 483.62 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[4-[4-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)butanoyl]pyrazol-1-yl]methyl]-3-methylphenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 129096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).