(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide

C19H26N8O2 — CID 24821631

IUPAC(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCCO)NC4)nc23)cn1
InChIInChI=1S/C19H26N8O2/c1-26-11-13(9-23-26)14-10-24-27-17(20)7-16(25-18(14)27)12-3-4-15(22-8-12)19(29)21-5-2-6-28/h7,9-12,15,22,28H,2-6,8,20H2,1H3,(H,21,29)/t12-,15-/m0/s1
InChIKeyGLDCHEYCYIMVLZ-WFASDCNBSA-N
MW398.47 g/mol
LogP0.05
Rot. Bonds6

About (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide

(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide (PubChem CID 24821631) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide
PubChem CID24821631
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCCO)NC4)nc23)cn1
InChIInChI=1S/C19H26N8O2/c1-26-11-13(9-23-26)14-10-24-27-17(20)7-16(25-18(14)27)12-3-4-15(22-8-12)19(29)21-5-2-6-28/h7,9-12,15,22,28H,2-6,8,20H2,1H3,(H,21,29)/t12-,15-/m0/s1
InChIKeyGLDCHEYCYIMVLZ-WFASDCNBSA-N
XLogP0.05
TPSA135.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The IUPAC name of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide (CID 24821631) is (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide is Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCCO)NC4)nc23)cn1.
What is the InChIKey of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The InChIKey is GLDCHEYCYIMVLZ-WFASDCNBSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-26-11-13(9-23-26)14-10-24-27-17(20)7-16(25-18(14)27)12-3-4-15(22-8-12)19(29)21-5-2-6-28/h7,9-12,15,22,28H,2-6,8,20H2,1H3,(H,21,29)/t12-,15-/m0/s1.
What are the key properties of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide?
(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide is sourced from PubChem (CID 24821631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).