(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol

C18H29N5O — CID 95862082

IUPAC(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol
SMILESCc1cc2nc(C(C)C)cc(NCCCN3CCC[C@H](O)C3)n2n1
InChIInChI=1S/C18H29N5O/c1-13(2)16-11-17(23-18(20-16)10-14(3)21-23)19-7-5-9-22-8-4-6-15(24)12-22/h10-11,13,15,19,24H,4-9,12H2,1-3H3/t15-/m0/s1
InChIKeyLOAOWECMMONIKA-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.42
Rot. Bonds6

About (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol

(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol (PubChem CID 95862082) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol
PubChem CID95862082
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol
SMILESCc1cc2nc(C(C)C)cc(NCCCN3CCC[C@H](O)C3)n2n1
InChIInChI=1S/C18H29N5O/c1-13(2)16-11-17(23-18(20-16)10-14(3)21-23)19-7-5-9-22-8-4-6-15(24)12-22/h10-11,13,15,19,24H,4-9,12H2,1-3H3/t15-/m0/s1
InChIKeyLOAOWECMMONIKA-HNNXBMFYSA-N
XLogP2.42
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol 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 (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol (CID 95862082) is (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol is Cc1cc2nc(C(C)C)cc(NCCCN3CCC[C@H](O)C3)n2n1.
What is the InChIKey of (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol?
The InChIKey is LOAOWECMMONIKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13(2)16-11-17(23-18(20-16)10-14(3)21-23)19-7-5-9-22-8-4-6-15(24)12-22/h10-11,13,15,19,24H,4-9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol?
(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol has a molecular weight of 331.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol is sourced from PubChem (CID 95862082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).