3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide

C25H25N9O3 — CID 164854607

IUPAC3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2cnc(N3CC[C@@H](c4cccnc4C(N)=O)[C@H](O)C3)cn2)c2c3cn[nH]c3nn2c1
InChIInChI=1S/C25H25N9O3/c1-2-37-14-8-17(23-18-9-30-31-25(18)32-34(23)12-14)19-10-29-21(11-28-19)33-7-5-15(20(35)13-33)16-4-3-6-27-22(16)24(26)36/h3-4,6,8-12,15,20,35H,2,5,7,13H2,1H3,(H2,26,36)(H,31,32)/t15-,20+/m0/s1
InChIKeyLGZJGMBOWIUDQL-MGPUTAFESA-N
MW499.54 g/mol
LogP1.91
Rot. Bonds6

About 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide

3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 164854607) has the molecular formula C25H25N9O3 and a molecular weight of 499.54 g/mol. Its IUPAC name is 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
PubChem CID164854607
Molecular FormulaC25H25N9O3
Molecular Weight499.54 g/mol
Exact Mass499.21
IUPAC Name3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2cnc(N3CC[C@@H](c4cccnc4C(N)=O)[C@H](O)C3)cn2)c2c3cn[nH]c3nn2c1
InChIInChI=1S/C25H25N9O3/c1-2-37-14-8-17(23-18-9-30-31-25(18)32-34(23)12-14)19-10-29-21(11-28-19)33-7-5-15(20(35)13-33)16-4-3-6-27-22(16)24(26)36/h3-4,6,8-12,15,20,35H,2,5,7,13H2,1H3,(H2,26,36)(H,31,32)/t15-,20+/m0/s1
InChIKeyLGZJGMBOWIUDQL-MGPUTAFESA-N
XLogP1.91
TPSA160.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]-6-fluorobenzamide
CID 164854662
2-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]-5-fluorobenzamide
CID 164854706
3-[(3R,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 164854697
(3R)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 170450847
tert-butyl N-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamate
CID 164854667
N-[(3R,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2,6-difluorobenzamide
CID 171593161
2-chloro-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
CID 170450988
10-ethoxy-12-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene
CID 175757302
2-chloro-N-[(3R,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-6-methylbenzamide
CID 170429947
12-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene;sulfuric acid
CID 170429911
2-chloro-N-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-5-fluorobenzamide
CID 171593185
(3R,4S)-4-amino-1-[5-[10-(2,2-difluoroethoxy)-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl]-2-pyridinyl]piperidin-3-ol
CID 164854592

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide (CID 164854607) is 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide is CCOc1cc(-c2cnc(N3CC[C@@H](c4cccnc4C(N)=O)[C@H](O)C3)cn2)c2c3cn[nH]c3nn2c1.
What is the InChIKey of 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is LGZJGMBOWIUDQL-MGPUTAFESA-N. The full InChI is InChI=1S/C25H25N9O3/c1-2-37-14-8-17(23-18-9-30-31-25(18)32-34(23)12-14)19-10-29-21(11-28-19)33-7-5-15(20(35)13-33)16-4-3-6-27-22(16)24(26)36/h3-4,6,8-12,15,20,35H,2,5,7,13H2,1H3,(H2,26,36)(H,31,32)/t15-,20+/m0/s1.
What are the key properties of 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164854607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).