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

C20H23N9O2 — CID 25176428

IUPAC1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(C(C)C)n4)cn3c2)cn1
InChIInChI=1S/C20H23N9O2/c1-13(2)29-26-16(25-27-29)8-9-21-20(30)24-17-12-28-11-15(4-6-18(28)23-17)14-5-7-19(31-3)22-10-14/h4-7,10-13H,8-9H2,1-3H3,(H2,21,24,30)
InChIKeyDRDOBIVPJCWPTO-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.34
Rot. Bonds7

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

1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea (PubChem CID 25176428) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-[6-(6-methoxy-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-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
PubChem CID25176428
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCOc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(C(C)C)n4)cn3c2)cn1
InChIInChI=1S/C20H23N9O2/c1-13(2)29-26-16(25-27-29)8-9-21-20(30)24-17-12-28-11-15(4-6-18(28)23-17)14-5-7-19(31-3)22-10-14/h4-7,10-13H,8-9H2,1-3H3,(H2,21,24,30)
InChIKeyDRDOBIVPJCWPTO-UHFFFAOYSA-N
XLogP2.34
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-methoxy-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-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea (CID 25176428) is 1-[6-(6-methoxy-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-methoxy-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-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea is COc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(C(C)C)n4)cn3c2)cn1.
What is the InChIKey of 1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
The InChIKey is DRDOBIVPJCWPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-13(2)29-26-16(25-27-29)8-9-21-20(30)24-17-12-28-11-15(4-6-18(28)23-17)14-5-7-19(31-3)22-10-14/h4-7,10-13H,8-9H2,1-3H3,(H2,21,24,30).
What are the key properties of 1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea has a molecular weight of 421.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 25176428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).