1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide

C25H35N9O2 — CID 68842675

IUPAC1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCOCCN1CCCC(NC(=O)C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)C1
InChIInChI=1S/C25H35N9O2/c1-36-14-13-32-10-2-5-18(16-32)26-23(35)20-6-3-11-33(20)25-28-22-7-4-12-34(22)24(29-25)27-21-15-19(30-31-21)17-8-9-17/h4,7,12,15,17-18,20H,2-3,5-6,8-11,13-14,16H2,1H3,(H,26,35)(H2,27,28,29,30,31)
InChIKeyRIDMCALXNCZMDY-UHFFFAOYSA-N
MW493.62 g/mol
LogP2.27
Rot. Bonds9

About 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide

1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 68842675) has the molecular formula C25H35N9O2 and a molecular weight of 493.62 g/mol. Its IUPAC name is 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID68842675
Molecular FormulaC25H35N9O2
Molecular Weight493.62 g/mol
Exact Mass493.29
IUPAC Name1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCOCCN1CCCC(NC(=O)C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)C1
InChIInChI=1S/C25H35N9O2/c1-36-14-13-32-10-2-5-18(16-32)26-23(35)20-6-3-11-33(20)25-28-22-7-4-12-34(22)24(29-25)27-21-15-19(30-31-21)17-8-9-17/h4,7,12,15,17-18,20H,2-3,5-6,8-11,13-14,16H2,1H3,(H,26,35)(H2,27,28,29,30,31)
InChIKeyRIDMCALXNCZMDY-UHFFFAOYSA-N
XLogP2.27
TPSA115.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide (CID 68842675) is 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide is COCCN1CCCC(NC(=O)C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)C1.
What is the InChIKey of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is RIDMCALXNCZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O2/c1-36-14-13-32-10-2-5-18(16-32)26-23(35)20-6-3-11-33(20)25-28-22-7-4-12-34(22)24(29-25)27-21-15-19(30-31-21)17-8-9-17/h4,7,12,15,17-18,20H,2-3,5-6,8-11,13-14,16H2,1H3,(H,26,35)(H2,27,28,29,30,31).
What are the key properties of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 493.62 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 68842675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).