[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol

C20H25N5O — CID 95873826

IUPAC[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn23)C1
InChIInChI=1S/C20H25N5O/c26-15-16-5-4-11-24(14-16)12-10-21-20-13-18(17-6-2-1-3-7-17)23-19-8-9-22-25(19)20/h1-3,6-9,13,16,21,26H,4-5,10-12,14-15H2/t16-/m1/s1
InChIKeyBHEBXPZMTYSREX-MRXNPFEDSA-N
MW351.45 g/mol
LogP2.51
Rot. Bonds6

About [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol

[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 95873826) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID95873826
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn23)C1
InChIInChI=1S/C20H25N5O/c26-15-16-5-4-11-24(14-16)12-10-21-20-13-18(17-6-2-1-3-7-17)23-19-8-9-22-25(19)20/h1-3,6-9,13,16,21,26H,4-5,10-12,14-15H2/t16-/m1/s1
InChIKeyBHEBXPZMTYSREX-MRXNPFEDSA-N
XLogP2.51
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95866553
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
CID 170782938
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 131945605
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol (CID 95873826) is [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn23)C1.
What is the InChIKey of [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is BHEBXPZMTYSREX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c26-15-16-5-4-11-24(14-16)12-10-21-20-13-18(17-6-2-1-3-7-17)23-19-8-9-22-25(19)20/h1-3,6-9,13,16,21,26H,4-5,10-12,14-15H2/t16-/m1/s1.
What are the key properties of [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95873826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).