N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide

C26H36N8O2 — CID 122517813

IUPACN-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCNC4)c3)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C26H36N8O2/c1-17(2)22-16-29-34-23(22)31-26(36-21-8-11-33(3)12-9-21)32-25(34)28-14-18-5-4-6-20(13-18)30-24(35)19-7-10-27-15-19/h4-6,13,16-17,19,21,27H,7-12,14-15H2,1-3H3,(H,30,35)(H,28,31,32)
InChIKeyXYPIMSNALHJVLZ-UHFFFAOYSA-N
MW492.63 g/mol
LogP2.88
Rot. Bonds8

About N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide

N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 122517813) has the molecular formula C26H36N8O2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID122517813
Molecular FormulaC26H36N8O2
Molecular Weight492.63 g/mol
Exact Mass492.30
IUPAC NameN-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCNC4)c3)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C26H36N8O2/c1-17(2)22-16-29-34-23(22)31-26(36-21-8-11-33(3)12-9-21)32-25(34)28-14-18-5-4-6-20(13-18)30-24(35)19-7-10-27-15-19/h4-6,13,16-17,19,21,27H,7-12,14-15H2,1-3H3,(H,30,35)(H,28,31,32)
InChIKeyXYPIMSNALHJVLZ-UHFFFAOYSA-N
XLogP2.88
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

[4-[[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]carbamoyl]cyclohexyl]azanium
CID 145151037
3-[[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 122517786
N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-N-prop-2-enoylpyrrolidine-3-carboxamide
CID 122517797
tert-butyl 3-[[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 134281390
1-[3-[2-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157381339
4-amino-N-[3-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]benzamide
CID 122517847
(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[4-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-3-oxobutyl]-N-propylbut-2-enamide;2-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-1-piperidin-3-ylethanone
CID 167601889
4-acetamido-N-[3-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]benzamide
CID 134301265
2-[2-[[[2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetic acid
CID 121248459
tert-butyl (3R)-3-[4-[[3-[[3-(2-fluoroprop-2-enoylamino)benzoyl]amino]phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidine-1-carboxylate
CID 170358344
8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161990
2-(1-methylpiperidin-4-yl)oxy-N-[(1S)-1-naphthalen-1-ylethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731503

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide (CID 122517813) is N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide is CC(C)c1cnn2c(NCc3cccc(NC(=O)C4CCNC4)c3)nc(OC3CCN(C)CC3)nc12.
What is the InChIKey of N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XYPIMSNALHJVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O2/c1-17(2)22-16-29-34-23(22)31-26(36-21-8-11-33(3)12-9-21)32-25(34)28-14-18-5-4-6-20(13-18)30-24(35)19-7-10-27-15-19/h4-6,13,16-17,19,21,27H,7-12,14-15H2,1-3H3,(H,30,35)(H,28,31,32).
What are the key properties of N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide?
N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122517813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).