(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

C26H24N4O4 — CID 177186640

IUPAC(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
SMILESCc1ncc(-c2nc3cc([C@@]4(O)CCOC4)ccc3o2)c2cc(NC(=O)[C@@H]3CC34CC4)ncc12
InChIInChI=1S/C26H24N4O4/c1-14-17-11-28-22(30-23(31)19-10-25(19)4-5-25)9-16(17)18(12-27-14)24-29-20-8-15(2-3-21(20)34-24)26(32)6-7-33-13-26/h2-3,8-9,11-12,19,32H,4-7,10,13H2,1H3,(H,28,30,31)/t19-,26+/m0/s1
InChIKeyWDYAAESMPUNIHA-AFMDSPMNSA-N
MW456.50 g/mol
LogP4.09
Rot. Bonds4

About (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (PubChem CID 177186640) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
PubChem CID177186640
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
SMILESCc1ncc(-c2nc3cc([C@@]4(O)CCOC4)ccc3o2)c2cc(NC(=O)[C@@H]3CC34CC4)ncc12
InChIInChI=1S/C26H24N4O4/c1-14-17-11-28-22(30-23(31)19-10-25(19)4-5-25)9-16(17)18(12-27-14)24-29-20-8-15(2-3-21(20)34-24)26(32)6-7-33-13-26/h2-3,8-9,11-12,19,32H,4-7,10,13H2,1H3,(H,28,30,31)/t19-,26+/m0/s1
InChIKeyWDYAAESMPUNIHA-AFMDSPMNSA-N
XLogP4.09
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 177187332
N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186797
N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187236
N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187400
1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol
CID 177187081
N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187460
N-[8-methyl-5-[6-(oxolan-3-yl)-[1,3]oxazolo[5,4-c]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186958
N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187147
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627478
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
CID 170677758

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (CID 177186640) is (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is Cc1ncc(-c2nc3cc([C@@]4(O)CCOC4)ccc3o2)c2cc(NC(=O)[C@@H]3CC34CC4)ncc12.
What is the InChIKey of (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is WDYAAESMPUNIHA-AFMDSPMNSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-14-17-11-28-22(30-23(31)19-10-25(19)4-5-25)9-16(17)18(12-27-14)24-29-20-8-15(2-3-21(20)34-24)26(32)6-7-33-13-26/h2-3,8-9,11-12,19,32H,4-7,10,13H2,1H3,(H,28,30,31)/t19-,26+/m0/s1.
What are the key properties of (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 177186640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).