N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H24N4O3 — CID 134788522

IUPACN-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CC3)c3c(C4CCNC4)noc3n2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-16-6-4-14(5-7-16)18-10-17(21(27)24-11-13-2-3-13)19-20(15-8-9-23-12-15)26-29-22(19)25-18/h4-7,10,13,15,23H,2-3,8-9,11-12H2,1H3,(H,24,27)
InChIKeyHOJFJXOJHVFMES-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.12
Rot. Bonds6

About N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788522) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788522
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CC3)c3c(C4CCNC4)noc3n2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-16-6-4-14(5-7-16)18-10-17(21(27)24-11-13-2-3-13)19-20(15-8-9-23-12-15)26-29-22(19)25-18/h4-7,10,13,15,23H,2-3,8-9,11-12H2,1H3,(H,24,27)
InChIKeyHOJFJXOJHVFMES-UHFFFAOYSA-N
XLogP3.12
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134788522) is N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCC3CC3)c3c(C4CCNC4)noc3n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HOJFJXOJHVFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-16-6-4-14(5-7-16)18-10-17(21(27)24-11-13-2-3-13)19-20(15-8-9-23-12-15)26-29-22(19)25-18/h4-7,10,13,15,23H,2-3,8-9,11-12H2,1H3,(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).