(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol

C18H21N5O — CID 70709400

IUPAC(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
SMILESCc1cc2nc(-c3ccccc3)cc(N[C@@H]3CNCC[C@H]3O)n2n1
InChIInChI=1S/C18H21N5O/c1-12-9-17-20-14(13-5-3-2-4-6-13)10-18(23(17)22-12)21-15-11-19-8-7-16(15)24/h2-6,9-10,15-16,19,21,24H,7-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyGDWRVEYTMSUEQS-HZPDHXFCSA-N
MW323.40 g/mol
LogP1.84
Rot. Bonds3

About (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol

(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol (PubChem CID 70709400) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
PubChem CID70709400
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol
SMILESCc1cc2nc(-c3ccccc3)cc(N[C@@H]3CNCC[C@H]3O)n2n1
InChIInChI=1S/C18H21N5O/c1-12-9-17-20-14(13-5-3-2-4-6-13)10-18(23(17)22-12)21-15-11-19-8-7-16(15)24/h2-6,9-10,15-16,19,21,24H,7-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyGDWRVEYTMSUEQS-HZPDHXFCSA-N
XLogP1.84
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol with MolForge

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Related Compounds

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70732753
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 56885324
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
CID 95897098
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70786665
(4S)-1-cyclopropyl-4-[[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95871433
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol (CID 70709400) is (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol is Cc1cc2nc(-c3ccccc3)cc(N[C@@H]3CNCC[C@H]3O)n2n1.
What is the InChIKey of (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol?
The InChIKey is GDWRVEYTMSUEQS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-9-17-20-14(13-5-3-2-4-6-13)10-18(23(17)22-12)21-15-11-19-8-7-16(15)24/h2-6,9-10,15-16,19,21,24H,7-8,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol?
(3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol has a molecular weight of 323.40 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-4-ol is sourced from PubChem (CID 70709400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).