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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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).