3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H24N6 — CID 169098938

IUPAC3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(N[C@H]3CCCNC3)cc(-c3c[nH]c4ccccc34)nc12
InChIInChI=1S/C21H24N6/c1-2-14-11-24-27-20(25-15-6-5-9-22-12-15)10-19(26-21(14)27)17-13-23-18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15,22-23,25H,2,5-6,9,12H2,1H3/t15-/m0/s1
InChIKeyXOKIUAXYVIDXCW-HNNXBMFYSA-N
MW360.47 g/mol
LogP3.60
Rot. Bonds4

About 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 169098938) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID169098938
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(N[C@H]3CCCNC3)cc(-c3c[nH]c4ccccc34)nc12
InChIInChI=1S/C21H24N6/c1-2-14-11-24-27-20(25-15-6-5-9-22-12-15)10-19(26-21(14)27)17-13-23-18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15,22-23,25H,2,5-6,9,12H2,1H3/t15-/m0/s1
InChIKeyXOKIUAXYVIDXCW-HNNXBMFYSA-N
XLogP3.60
TPSA70.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162663968
8-(1H-indol-3-yl)-N-piperidin-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 175697301
5-ethynyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162667587
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
CID 177381336
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441458
butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523548
(3R,4R)-4-[[[3-ethyl-7-[(4-phenylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 167260012
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067401
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89055812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 169098938) is 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(N[C@H]3CCCNC3)cc(-c3c[nH]c4ccccc34)nc12.
What is the InChIKey of 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XOKIUAXYVIDXCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N6/c1-2-14-11-24-27-20(25-15-6-5-9-22-12-15)10-19(26-21(14)27)17-13-23-18-8-4-3-7-16(17)18/h3-4,7-8,10-11,13,15,22-23,25H,2,5-6,9,12H2,1H3/t15-/m0/s1.
What are the key properties of 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 169098938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).