4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide

C19H23N9O — CID 164599196

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC2CCNCC21
InChIInChI=1S/C19H23N9O/c1-21-19(29)18-15(25-14-3-2-11-4-5-22-9-13(11)14)6-16(27-28-18)26-17-10-23-12(7-20)8-24-17/h6,8,10-11,13-14,22H,2-5,9H2,1H3,(H,21,29)(H2,24,25,26,27)
InChIKeyXWVZURYZVQMPAI-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.04
Rot. Bonds5

About 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide

4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 164599196) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID164599196
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC2CCNCC21
InChIInChI=1S/C19H23N9O/c1-21-19(29)18-15(25-14-3-2-11-4-5-22-9-13(11)14)6-16(27-28-18)26-17-10-23-12(7-20)8-24-17/h6,8,10-11,13-14,22H,2-5,9H2,1H3,(H,21,29)(H2,24,25,26,27)
InChIKeyXWVZURYZVQMPAI-UHFFFAOYSA-N
XLogP1.04
TPSA140.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide (CID 164599196) is 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC2CCNCC21.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is XWVZURYZVQMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O/c1-21-19(29)18-15(25-14-3-2-11-4-5-22-9-13(11)14)6-16(27-28-18)26-17-10-23-12(7-20)8-24-17/h6,8,10-11,13-14,22H,2-5,9H2,1H3,(H,21,29)(H2,24,25,26,27).
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide?
4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 164599196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).