3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol

C20H25N5O — CID 95869229

IUPAC3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCCc1cc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n2nccc2n1
InChIInChI=1S/C20H25N5O/c1-2-16-12-20(25-19(22-16)8-9-21-25)23-17-6-4-10-24(14-17)13-15-5-3-7-18(26)11-15/h3,5,7-9,11-12,17,23,26H,2,4,6,10,13-14H2,1H3/t17-/m0/s1
InChIKeyPWQBCXDLJIPVRP-KRWDZBQOSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds5

About 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol

3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol (PubChem CID 95869229) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
PubChem CID95869229
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCCc1cc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n2nccc2n1
InChIInChI=1S/C20H25N5O/c1-2-16-12-20(25-19(22-16)8-9-21-25)23-17-6-4-10-24(14-17)13-15-5-3-7-18(26)11-15/h3,5,7-9,11-12,17,23,26H,2,4,6,10,13-14H2,1H3/t17-/m0/s1
InChIKeyPWQBCXDLJIPVRP-KRWDZBQOSA-N
XLogP3.07
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[[3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 56893377
5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70771078
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95869952
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[[3-[(3-methylsulfanylphenyl)methylamino]piperidin-1-yl]methyl]phenol
CID 131929815
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
1-(1-benzylpiperidin-3-yl)-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111993120
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol (CID 95869229) is 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol is CCc1cc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n2nccc2n1.
What is the InChIKey of 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol?
The InChIKey is PWQBCXDLJIPVRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-16-12-20(25-19(22-16)8-9-21-25)23-17-6-4-10-24(14-17)13-15-5-3-7-18(26)11-15/h3,5,7-9,11-12,17,23,26H,2,4,6,10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol?
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol has a molecular weight of 351.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 95869229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).