1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea

C19H20FN9O2 — CID 25176429

IUPAC1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(CCF)n4)cn3c2)cn1
InChIInChI=1S/C19H20FN9O2/c1-31-18-5-3-13(10-22-18)14-2-4-17-23-16(12-28(17)11-14)24-19(30)21-8-6-15-25-27-29(26-15)9-7-20/h2-5,10-12H,6-9H2,1H3,(H2,21,24,30)
InChIKeyRSGCUIJHKCIYDO-UHFFFAOYSA-N
MW425.43 g/mol
LogP1.73
Rot. Bonds8

About 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea

1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 25176429) has the molecular formula C19H20FN9O2 and a molecular weight of 425.43 g/mol. Its IUPAC name is 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
PubChem CID25176429
Molecular FormulaC19H20FN9O2
Molecular Weight425.43 g/mol
Exact Mass425.17
IUPAC Name1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(CCF)n4)cn3c2)cn1
InChIInChI=1S/C19H20FN9O2/c1-31-18-5-3-13(10-22-18)14-2-4-17-23-16(12-28(17)11-14)24-19(30)21-8-6-15-25-27-29(26-15)9-7-20/h2-5,10-12H,6-9H2,1H3,(H2,21,24,30)
InChIKeyRSGCUIJHKCIYDO-UHFFFAOYSA-N
XLogP1.73
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea (CID 25176429) is 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea is COc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(CCF)n4)cn3c2)cn1.
What is the InChIKey of 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is RSGCUIJHKCIYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN9O2/c1-31-18-5-3-13(10-22-18)14-2-4-17-23-16(12-28(17)11-14)24-19(30)21-8-6-15-25-27-29(26-15)9-7-20/h2-5,10-12H,6-9H2,1H3,(H2,21,24,30).
What are the key properties of 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea?
1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 425.43 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 25176429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).