ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

C24H27N5O5 — CID 146633829

IUPACethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1nc(OC)ccc1O2
InChIInChI=1S/C24H27N5O5/c1-3-33-23(31)29-11-9-24(10-12-29)13-17(21-18(34-24)7-8-19(27-21)32-2)26-22(30)16-6-4-5-15-14-25-28-20(15)16/h4-8,14,17H,3,9-13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m0/s1
InChIKeyNNBCGIWZNXPJAQ-KRWDZBQOSA-N
MW465.51 g/mol
LogP3.21
Rot. Bonds4

About ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (PubChem CID 146633829) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
PubChem CID146633829
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Nameethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1nc(OC)ccc1O2
InChIInChI=1S/C24H27N5O5/c1-3-33-23(31)29-11-9-24(10-12-29)13-17(21-18(34-24)7-8-19(27-21)32-2)26-22(30)16-6-4-5-15-14-25-28-20(15)16/h4-8,14,17H,3,9-13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m0/s1
InChIKeyNNBCGIWZNXPJAQ-KRWDZBQOSA-N
XLogP3.21
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (CID 146633829) is ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1nc(OC)ccc1O2.
What is the InChIKey of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is NNBCGIWZNXPJAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-3-33-23(31)29-11-9-24(10-12-29)13-17(21-18(34-24)7-8-19(27-21)32-2)26-22(30)16-6-4-5-15-14-25-28-20(15)16/h4-8,14,17H,3,9-13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m0/s1.
What are the key properties of ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 146633829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).