N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

C21H18FN7O3 — CID 177200182

IUPACN-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NC3C[C@H]3F)onc12
InChIInChI=1S/C21H18FN7O3/c1-23-14-10-15(25-12-5-4-8-29(21(12)31)16-6-2-3-7-24-16)27-18-17(14)28-32-19(18)20(30)26-13-9-11(13)22/h2-8,10-11,13,23H,9H2,1H3,(H,25,27)(H,26,30)/t11-,13?/m1/s1
InChIKeyWBNNKNDVHPRMDH-JTDNENJMSA-N
MW435.42 g/mol
LogP2.39
Rot. Bonds6

About N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200182) has the molecular formula C21H18FN7O3 and a molecular weight of 435.42 g/mol. Its IUPAC name is N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
PubChem CID177200182
Molecular FormulaC21H18FN7O3
Molecular Weight435.42 g/mol
Exact Mass435.15
IUPAC NameN-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NC3C[C@H]3F)onc12
InChIInChI=1S/C21H18FN7O3/c1-23-14-10-15(25-12-5-4-8-29(21(12)31)16-6-2-3-7-24-16)27-18-17(14)28-32-19(18)20(30)26-13-9-11(13)22/h2-8,10-11,13,23H,9H2,1H3,(H,25,27)(H,26,30)/t11-,13?/m1/s1
InChIKeyWBNNKNDVHPRMDH-JTDNENJMSA-N
XLogP2.39
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200182) is N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NC3C[C@H]3F)onc12.
What is the InChIKey of N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is WBNNKNDVHPRMDH-JTDNENJMSA-N. The full InChI is InChI=1S/C21H18FN7O3/c1-23-14-10-15(25-12-5-4-8-29(21(12)31)16-6-2-3-7-24-16)27-18-17(14)28-32-19(18)20(30)26-13-9-11(13)22/h2-8,10-11,13,23H,9H2,1H3,(H,25,27)(H,26,30)/t11-,13?/m1/s1.
What are the key properties of N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).