8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one

C20H18N2O3 — CID 166146679

IUPAC8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one
SMILESCc1cc([C@@H](C)O)c2oc(-c3ccc4ccnn4c3)c(C)c(=O)c2c1
InChIInChI=1S/C20H18N2O3/c1-11-8-16(13(3)23)20-17(9-11)18(24)12(2)19(25-20)14-4-5-15-6-7-21-22(15)10-14/h4-10,13,23H,1-3H3/t13-/m1/s1
InChIKeyCYCIBXGWCJZMJQ-CYBMUJFWSA-N
MW334.38 g/mol
LogP3.78
Rot. Bonds2

About 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one

8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one (PubChem CID 166146679) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one.

Molecular Properties

Compound Name8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one
PubChem CID166146679
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one
SMILESCc1cc([C@@H](C)O)c2oc(-c3ccc4ccnn4c3)c(C)c(=O)c2c1
InChIInChI=1S/C20H18N2O3/c1-11-8-16(13(3)23)20-17(9-11)18(24)12(2)19(25-20)14-4-5-15-6-7-21-22(15)10-14/h4-10,13,23H,1-3H3/t13-/m1/s1
InChIKeyCYCIBXGWCJZMJQ-CYBMUJFWSA-N
XLogP3.78
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one?
The IUPAC name of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one (CID 166146679) is 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one.
What is the SMILES notation for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one?
The canonical SMILES for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one is Cc1cc([C@@H](C)O)c2oc(-c3ccc4ccnn4c3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one?
The InChIKey is CYCIBXGWCJZMJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11-8-16(13(3)23)20-17(9-11)18(24)12(2)19(25-20)14-4-5-15-6-7-21-22(15)10-14/h4-10,13,23H,1-3H3/t13-/m1/s1.
What are the key properties of 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one?
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one has a molecular weight of 334.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one is sourced from PubChem (CID 166146679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).