(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide

C19H20N8O — CID 67999696

IUPAC(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2cnccn2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H20N8O/c1-12-3-7-26(19(28)25-16-10-20-5-6-21-16)11-14(12)18-24-9-13-8-23-17-15(27(13)18)2-4-22-17/h2,4-6,8-10,12,14,22H,3,7,11H2,1H3,(H,21,25,28)/t12-,14+/m1/s1
InChIKeyAPBDDASGQIABJY-OCCSQVGLSA-N
MW376.42 g/mol
LogP2.66
Rot. Bonds2

About (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide

(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide (PubChem CID 67999696) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide
PubChem CID67999696
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2cnccn2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H20N8O/c1-12-3-7-26(19(28)25-16-10-20-5-6-21-16)11-14(12)18-24-9-13-8-23-17-15(27(13)18)2-4-22-17/h2,4-6,8-10,12,14,22H,3,7,11H2,1H3,(H,21,25,28)/t12-,14+/m1/s1
InChIKeyAPBDDASGQIABJY-OCCSQVGLSA-N
XLogP2.66
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-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

[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 159933139
(3-methylpyrrolidin-1-yl)-[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]methanone
CID 67998637
azetidin-1-yl-[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]methanone
CID 58557367
N-(2,4-difluorophenyl)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide
CID 140572433
[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 123273203
3-methylsulfanyl-1-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]propan-1-one
CID 129131206
(4,4-difluorocyclohexyl)-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]methanone
CID 123767693
[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 67997738
[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 58558119
1-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]azetidine-3-carbonitrile
CID 58557589
4-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-4-oxobutanenitrile
CID 58557997
1-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 123461293

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide (CID 67999696) is (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide is C[C@@H]1CCN(C(=O)Nc2cnccn2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12.
What is the InChIKey of (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide?
The InChIKey is APBDDASGQIABJY-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H20N8O/c1-12-3-7-26(19(28)25-16-10-20-5-6-21-16)11-14(12)18-24-9-13-8-23-17-15(27(13)18)2-4-22-17/h2,4-6,8-10,12,14,22H,3,7,11H2,1H3,(H,21,25,28)/t12-,14+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide?
(3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-N-pyrazin-2-yl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carboxamide is sourced from PubChem (CID 67999696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).