5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C24H31N7O2 — CID 170643351

IUPAC5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC/C=C\Nc1ccc(-c2ccn3nc(NC4CCN(C5COC5)CC4)nc(OC)c23)cn1
InChIInChI=1S/C24H31N7O2/c1-3-4-10-25-21-6-5-17(14-26-21)20-9-13-31-22(20)23(32-2)28-24(29-31)27-18-7-11-30(12-8-18)19-15-33-16-19/h4-6,9-10,13-14,18-19H,3,7-8,11-12,15-16H2,1-2H3,(H,25,26)(H,27,29)/b10-4-
InChIKeyHYKXWCWCXQQQPD-WMZJFQQLSA-N
MW449.56 g/mol
LogP3.41
Rot. Bonds8

About 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170643351) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170643351
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC/C=C\Nc1ccc(-c2ccn3nc(NC4CCN(C5COC5)CC4)nc(OC)c23)cn1
InChIInChI=1S/C24H31N7O2/c1-3-4-10-25-21-6-5-17(14-26-21)20-9-13-31-22(20)23(32-2)28-24(29-31)27-18-7-11-30(12-8-18)19-15-33-16-19/h4-6,9-10,13-14,18-19H,3,7-8,11-12,15-16H2,1-2H3,(H,25,26)(H,27,29)/b10-4-
InChIKeyHYKXWCWCXQQQPD-WMZJFQQLSA-N
XLogP3.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

1-[4-[[4-(2,2-difluoroethoxy)-5-[6-(ethenylamino)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170642006
4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-5-(3,4-dihydroquinolin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642499
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657316
N-[(3R,4S)-4-fluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642163
6-[2-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642352
N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643000
5-[4-diazenyl-3-(ethylamino)phenyl]-N-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643027
6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170657324
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642705
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170643351) is 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is CC/C=C\Nc1ccc(-c2ccn3nc(NC4CCN(C5COC5)CC4)nc(OC)c23)cn1.
What is the InChIKey of 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is HYKXWCWCXQQQPD-WMZJFQQLSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-3-4-10-25-21-6-5-17(14-26-21)20-9-13-31-22(20)23(32-2)28-24(29-31)27-18-7-11-30(12-8-18)19-15-33-16-19/h4-6,9-10,13-14,18-19H,3,7-8,11-12,15-16H2,1-2H3,(H,25,26)(H,27,29)/b10-4-.
What are the key properties of 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170643351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).