1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea

C18H17F3N10O — CID 25174659

IUPAC1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea
SMILESCCn1nnc(CCNC(=O)Nc2cn3cc(-c4cncc(C(F)(F)F)c4)ncc3n2)n1
InChIInChI=1S/C18H17F3N10O/c1-2-31-28-14(27-29-31)3-4-23-17(32)26-15-10-30-9-13(24-8-16(30)25-15)11-5-12(7-22-6-11)18(19,20)21/h5-10H,2-4H2,1H3,(H2,23,26,32)
InChIKeyIEHCURNLWQTSFE-UHFFFAOYSA-N
MW446.40 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea

1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea (PubChem CID 25174659) has the molecular formula C18H17F3N10O and a molecular weight of 446.40 g/mol. Its IUPAC name is 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea
PubChem CID25174659
Molecular FormulaC18H17F3N10O
Molecular Weight446.40 g/mol
Exact Mass446.15
IUPAC Name1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea
SMILESCCn1nnc(CCNC(=O)Nc2cn3cc(-c4cncc(C(F)(F)F)c4)ncc3n2)n1
InChIInChI=1S/C18H17F3N10O/c1-2-31-28-14(27-29-31)3-4-23-17(32)26-15-10-30-9-13(24-8-16(30)25-15)11-5-12(7-22-6-11)18(19,20)21/h5-10H,2-4H2,1H3,(H2,23,26,32)
InChIKeyIEHCURNLWQTSFE-UHFFFAOYSA-N
XLogP2.18
TPSA127.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-2-yl)urea
CID 25174661
1-[6-(5-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 71035079
1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
CID 23649353
1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 66986232
1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
CID 25176099
1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea
CID 25174175
1-[5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 87307398
1-[5-(2-chloro-6-methyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 11315753
1-[(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propyl]-3-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]urea
CID 172943189
1-(6-bromoimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-ethyl-1,3-dihydrotetrazol-5-yl)ethyl]urea
CID 143527874
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 118357062
1-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46354937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea?
The IUPAC name of 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea (CID 25174659) is 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea.
What is the SMILES notation for 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea?
The canonical SMILES for 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea is CCn1nnc(CCNC(=O)Nc2cn3cc(-c4cncc(C(F)(F)F)c4)ncc3n2)n1.
What is the InChIKey of 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea?
The InChIKey is IEHCURNLWQTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N10O/c1-2-31-28-14(27-29-31)3-4-23-17(32)26-15-10-30-9-13(24-8-16(30)25-15)11-5-12(7-22-6-11)18(19,20)21/h5-10H,2-4H2,1H3,(H2,23,26,32).
What are the key properties of 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea?
1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea has a molecular weight of 446.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea is sourced from PubChem (CID 25174659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).