5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one

C19H23N9O2 — CID 123230807

IUPAC5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one
SMILESCN(Cc1ccncc1)c1nc(NC2CC2)n2ncc(CC3NC(O)NC3=O)c2n1
InChIInChI=1S/C19H23N9O2/c1-27(10-11-4-6-20-7-5-11)17-24-15-12(8-14-16(29)25-19(30)23-14)9-21-28(15)18(26-17)22-13-2-3-13/h4-7,9,13-14,19,23,30H,2-3,8,10H2,1H3,(H,25,29)(H,22,24,26)
InChIKeyTYDSGCHCWCBYRL-UHFFFAOYSA-N
MW409.45 g/mol
LogP-0.36
Rot. Bonds7

About 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one

5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one (PubChem CID 123230807) has the molecular formula C19H23N9O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one
PubChem CID123230807
Molecular FormulaC19H23N9O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC Name5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one
SMILESCN(Cc1ccncc1)c1nc(NC2CC2)n2ncc(CC3NC(O)NC3=O)c2n1
InChIInChI=1S/C19H23N9O2/c1-27(10-11-4-6-20-7-5-11)17-24-15-12(8-14-16(29)25-19(30)23-14)9-21-28(15)18(26-17)22-13-2-3-13/h4-7,9,13-14,19,23,30H,2-3,8,10H2,1H3,(H,25,29)(H,22,24,26)
InChIKeyTYDSGCHCWCBYRL-UHFFFAOYSA-N
XLogP-0.36
TPSA132.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one?
The IUPAC name of 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one (CID 123230807) is 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one.
What is the SMILES notation for 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one?
The canonical SMILES for 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one is CN(Cc1ccncc1)c1nc(NC2CC2)n2ncc(CC3NC(O)NC3=O)c2n1.
What is the InChIKey of 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one?
The InChIKey is TYDSGCHCWCBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O2/c1-27(10-11-4-6-20-7-5-11)17-24-15-12(8-14-16(29)25-19(30)23-14)9-21-28(15)18(26-17)22-13-2-3-13/h4-7,9,13-14,19,23,30H,2-3,8,10H2,1H3,(H,25,29)(H,22,24,26).
What are the key properties of 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one?
5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one has a molecular weight of 409.45 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylamino)-2-[methyl(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxyimidazolidin-4-one is sourced from PubChem (CID 123230807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).