6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H25N5O4 — CID 134802014

IUPAC6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)N4CCOCC4)C3)c12
InChIInChI=1S/C20H25N5O4/c1-21-18(26)14-10-15(12-2-3-12)22-19-16(14)17(23-29-19)13-4-5-25(11-13)20(27)24-6-8-28-9-7-24/h10,12-13H,2-9,11H2,1H3,(H,21,26)
InChIKeyIOSBWKRGMQWARV-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.70
Rot. Bonds3

About 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802014) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802014
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)N4CCOCC4)C3)c12
InChIInChI=1S/C20H25N5O4/c1-21-18(26)14-10-15(12-2-3-12)22-19-16(14)17(23-29-19)13-4-5-25(11-13)20(27)24-6-8-28-9-7-24/h10,12-13H,2-9,11H2,1H3,(H,21,26)
InChIKeyIOSBWKRGMQWARV-UHFFFAOYSA-N
XLogP1.70
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802045
6-cyclopropyl-3-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802011
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801159
3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802466
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019
6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801797
3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802983
(6-cyclopropyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
CID 134787837
3-(1-benzoylpyrrolidin-2-yl)-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802431
3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803082
6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803718
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134803876

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802014) is 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)N4CCOCC4)C3)c12.
What is the InChIKey of 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IOSBWKRGMQWARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-21-18(26)14-10-15(12-2-3-12)22-19-16(14)17(23-29-19)13-4-5-25(11-13)20(27)24-6-8-28-9-7-24/h10,12-13H,2-9,11H2,1H3,(H,21,26).
What are the key properties of 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).