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

C20H21F3N10O — CID 23649353

IUPAC1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)n1
InChIInChI=1S/C20H21F3N10O/c1-11(2)33-30-15(29-31-33)5-6-25-19(34)28-16-10-32-9-12(3-4-17(32)27-16)13-7-14(20(21,22)23)18(24)26-8-13/h3-4,7-11H,5-6H2,1-2H3,(H2,24,26)(H2,25,28,34)
InChIKeyYYWOZNQXVMRAIT-UHFFFAOYSA-N
MW474.45 g/mol
LogP2.93
Rot. Bonds6

About 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

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 (PubChem CID 23649353) has the molecular formula C20H21F3N10O and a molecular weight of 474.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
PubChem CID23649353
Molecular FormulaC20H21F3N10O
Molecular Weight474.45 g/mol
Exact Mass474.19
IUPAC Name1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)n1
InChIInChI=1S/C20H21F3N10O/c1-11(2)33-30-15(29-31-33)5-6-25-19(34)28-16-10-32-9-12(3-4-17(32)27-16)13-7-14(20(21,22)23)18(24)26-8-13/h3-4,7-11H,5-6H2,1-2H3,(H2,24,26)(H2,25,28,34)
InChIKeyYYWOZNQXVMRAIT-UHFFFAOYSA-N
XLogP2.93
TPSA140.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
CID 25176099
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methylamino)acetamide
CID 59251961
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
CID 143527821
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
CID 68528343
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-fluorobenzamide
CID 59252002
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
CID 71171122
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorobenzamide
CID 59251812
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
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-imidazol-1-ylbenzamide
CID 59252090
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 59252057
tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate
CID 59251943
1-[2-(2-ethyltetrazol-5-yl)ethyl]-3-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-2-yl]urea
CID 25174659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)n1.
What is the InChIKey of 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?
The InChIKey is YYWOZNQXVMRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N10O/c1-11(2)33-30-15(29-31-33)5-6-25-19(34)28-16-10-32-9-12(3-4-17(32)27-16)13-7-14(20(21,22)23)18(24)26-8-13/h3-4,7-11H,5-6H2,1-2H3,(H2,24,26)(H2,25,28,34).
What are the key properties of 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?
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 has a molecular weight of 474.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23649353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).