N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C19H20F3N7O2 — CID 139343540

IUPACN-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H20F3N7O2/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30/h3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31)
InChIKeyJFNFEDVLAPNSKE-UHFFFAOYSA-N
MW435.41 g/mol
LogP1.53
Rot. Bonds5

About N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139343540) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID139343540
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC NameN-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H20F3N7O2/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30/h3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31)
InChIKeyJFNFEDVLAPNSKE-UHFFFAOYSA-N
XLogP1.53
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 139343540) is N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is JFNFEDVLAPNSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30/h3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31).
What are the key properties of N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139343540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).