4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide

C22H19FN4O4 — CID 118196244

IUPAC4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide
SMILESCn1ncc2c(Oc3ccc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)cc3)ccc(F)c21
InChIInChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m0/s1
InChIKeyZAVQNBXALRKXSF-IBGZPJMESA-N
MW422.42 g/mol
LogP2.69
Rot. Bonds6

About 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide

4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide (PubChem CID 118196244) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide
PubChem CID118196244
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide
SMILESCn1ncc2c(Oc3ccc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)cc3)ccc(F)c21
InChIInChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m0/s1
InChIKeyZAVQNBXALRKXSF-IBGZPJMESA-N
XLogP2.69
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide (CID 118196244) is 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide is Cn1ncc2c(Oc3ccc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)cc3)ccc(F)c21.
What is the InChIKey of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide?
The InChIKey is ZAVQNBXALRKXSF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19FN4O4/c1-27-21-15(10-25-27)20(7-6-16(21)23)31-14-4-2-12(3-5-14)17-8-13(19(29)11-28)9-18(26-17)22(24)30/h2-10,19,28-29H,11H2,1H3,(H2,24,30)/t19-/m0/s1.
What are the key properties of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide?
4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(7-fluoro-1-methylindazol-4-yl)oxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).