4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide

C22H24N6O — CID 145236085

IUPAC4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide
SMILESC=C(/C=C\C=C/C)c1nc(Nc2ccncc2C(=O)NCCC)c2cccn2n1
InChIInChI=1S/C22H24N6O/c1-4-6-7-9-16(3)20-26-21(19-10-8-14-28(19)27-20)25-18-11-13-23-15-17(18)22(29)24-12-5-2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,24,29)(H,23,25,26,27)/b6-4-,9-7-
InChIKeyQCKUFVGRCVHXOX-PJPBHMPJSA-N
MW388.48 g/mol
LogP4.15
Rot. Bonds8

About 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide

4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide (PubChem CID 145236085) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide
PubChem CID145236085
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide
SMILESC=C(/C=C\C=C/C)c1nc(Nc2ccncc2C(=O)NCCC)c2cccn2n1
InChIInChI=1S/C22H24N6O/c1-4-6-7-9-16(3)20-26-21(19-10-8-14-28(19)27-20)25-18-11-13-23-15-17(18)22(29)24-12-5-2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,24,29)(H,23,25,26,27)/b6-4-,9-7-
InChIKeyQCKUFVGRCVHXOX-PJPBHMPJSA-N
XLogP4.15
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-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

4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 126499704
N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
CID 135262091
4-[[2-[6-[difluoro(iodo)methyl]-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 126499737
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 126484378
N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
CID 135262295
methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
CID 126499612
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
1-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl]ethenol
CID 126499469
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide (CID 145236085) is 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide is C=C(/C=C\C=C/C)c1nc(Nc2ccncc2C(=O)NCCC)c2cccn2n1.
What is the InChIKey of 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide?
The InChIKey is QCKUFVGRCVHXOX-PJPBHMPJSA-N. The full InChI is InChI=1S/C22H24N6O/c1-4-6-7-9-16(3)20-26-21(19-10-8-14-28(19)27-20)25-18-11-13-23-15-17(18)22(29)24-12-5-2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,24,29)(H,23,25,26,27)/b6-4-,9-7-.
What are the key properties of 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide?
4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 145236085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).