N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

C18H27N5O2S — CID 56895664

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5O2S/c1-2-14-13-18(23-17(20-14)3-8-19-23)21-15-4-9-22(10-5-15)16-6-11-26(24,25)12-7-16/h3,8,13,15-16,21H,2,4-7,9-12H2,1H3
InChIKeyFEYNXOALCFTVQK-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56895664) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56895664
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5O2S/c1-2-14-13-18(23-17(20-14)3-8-19-23)21-15-4-9-22(10-5-15)16-6-11-26(24,25)12-7-16/h3,8,13,15-16,21H,2,4-7,9-12H2,1H3
InChIKeyFEYNXOALCFTVQK-UHFFFAOYSA-N
XLogP1.75
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
CID 95718361
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888835
N-[(1,1-dioxothiolan-3-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70762722
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 95869229
3-[[3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 56893377
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084
CID 174062770
CID 174062770
trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418374
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95862380
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409749
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 162370702

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56895664) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)n2nccc2n1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FEYNXOALCFTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-2-14-13-18(23-17(20-14)3-8-19-23)21-15-4-9-22(10-5-15)16-6-11-26(24,25)12-7-16/h3,8,13,15-16,21H,2,4-7,9-12H2,1H3.
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 377.51 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56895664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).