N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine

C20H29N7O2S — CID 92590147

IUPACN-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cn1
InChIInChI=1S/C20H29N7O2S/c1-5-25-14-16(12-22-25)30(28,29)26-9-6-15(7-10-26)18-19(24-20(2,3)4)27-11-8-21-13-17(27)23-18/h8,11-15,24H,5-7,9-10H2,1-4H3
InChIKeyOVWHTOMYLNTYNX-UHFFFAOYSA-N
MW431.57 g/mol
LogP2.72
Rot. Bonds5

About N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine

N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 92590147) has the molecular formula C20H29N7O2S and a molecular weight of 431.57 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID92590147
Molecular FormulaC20H29N7O2S
Molecular Weight431.57 g/mol
Exact Mass431.21
IUPAC NameN-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cn1
InChIInChI=1S/C20H29N7O2S/c1-5-25-14-16(12-22-25)30(28,29)26-9-6-15(7-10-26)18-19(24-20(2,3)4)27-11-8-21-13-17(27)23-18/h8,11-15,24H,5-7,9-10H2,1-4H3
InChIKeyOVWHTOMYLNTYNX-UHFFFAOYSA-N
XLogP2.72
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine (CID 92590147) is N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine is CCn1cc(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cn1.
What is the InChIKey of N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is OVWHTOMYLNTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2S/c1-5-25-14-16(12-22-25)30(28,29)26-9-6-15(7-10-26)18-19(24-20(2,3)4)27-11-8-21-13-17(27)23-18/h8,11-15,24H,5-7,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine?
N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 431.57 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 92590147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).