1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine

C21H28N6 — CID 77086023

IUPAC1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCCN1CCC(N(CCc2ccccn2)Cc2cnn3cccnc23)CC1
InChIInChI=1S/C21H28N6/c1-2-25-13-8-20(9-14-25)26(15-7-19-6-3-4-10-22-19)17-18-16-24-27-12-5-11-23-21(18)27/h3-6,10-12,16,20H,2,7-9,13-15,17H2,1H3
InChIKeyKOFRSWOJNMODKX-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.65
Rot. Bonds7

About 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine

1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine (PubChem CID 77086023) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine
PubChem CID77086023
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCCN1CCC(N(CCc2ccccn2)Cc2cnn3cccnc23)CC1
InChIInChI=1S/C21H28N6/c1-2-25-13-8-20(9-14-25)26(15-7-19-6-3-4-10-22-19)17-18-16-24-27-12-5-11-23-21(18)27/h3-6,10-12,16,20H,2,7-9,13-15,17H2,1H3
InChIKeyKOFRSWOJNMODKX-UHFFFAOYSA-N
XLogP2.65
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine with MolForge

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 154571089
N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 138810100
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232143
(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
CID 99926435
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
1-(4-chloro-2-fluorophenyl)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 131937999
(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
CID 25289228
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 166623725
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine (CID 77086023) is 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine is CCN1CCC(N(CCc2ccccn2)Cc2cnn3cccnc23)CC1.
What is the InChIKey of 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine?
The InChIKey is KOFRSWOJNMODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-2-25-13-8-20(9-14-25)26(15-7-19-6-3-4-10-22-19)17-18-16-24-27-12-5-11-23-21(18)27/h3-6,10-12,16,20H,2,7-9,13-15,17H2,1H3.
What are the key properties of 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine?
1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 77086023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).