2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide

C23H24N8O4 — CID 145231697

IUPAC2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCC3)co2)n1
InChIInChI=1S/C23H24N8O4/c24-18-5-3-4-14(25-18)22-27-16(13-34-22)21(32)26-15-12-17-19(28-20(15)30-6-1-2-7-30)29-23(35-17)31-8-10-33-11-9-31/h3-5,12-13H,1-2,6-11H2,(H2,24,25)(H,26,32)
InChIKeyJHFBUFPWAPHRIV-UHFFFAOYSA-N
MW476.50 g/mol
LogP2.54
Rot. Bonds5

About 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide

2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 145231697) has the molecular formula C23H24N8O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID145231697
Molecular FormulaC23H24N8O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCC3)co2)n1
InChIInChI=1S/C23H24N8O4/c24-18-5-3-4-14(25-18)22-27-16(13-34-22)21(32)26-15-12-17-19(28-20(15)30-6-1-2-7-30)29-23(35-17)31-8-10-33-11-9-31/h3-5,12-13H,1-2,6-11H2,(H2,24,25)(H,26,32)
InChIKeyJHFBUFPWAPHRIV-UHFFFAOYSA-N
XLogP2.54
TPSA148.67 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[5-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118224222
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224473
N-[5-[(3S)-3-ethylpyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 163922721
tert-butyl N-[(3R)-1-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]carbamate
CID 140804183
N-(2-amino-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(2-oxo-1H-pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 163476093
N-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-2-pyridinyl]-5-(3-aminopiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 174085082
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 145231708
5-(3-hydroxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972262
ethane;N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-morpholin-4-yl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972167
2-(3-ethylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 123882569

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide (CID 145231697) is 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide is Nc1cccc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCC3)co2)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JHFBUFPWAPHRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O4/c24-18-5-3-4-14(25-18)22-27-16(13-34-22)21(32)26-15-12-17-19(28-20(15)30-6-1-2-7-30)29-23(35-17)31-8-10-33-11-9-31/h3-5,12-13H,1-2,6-11H2,(H2,24,25)(H,26,32).
What are the key properties of 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 145231697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).