3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H26N4O3S — CID 167224729

IUPAC3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6(CCCO6)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26N4O3S/c1-14-3-6-18-20(25)21(32-23(18)26-14)22(29)27-16-9-15-4-5-17(10-19(15)30-11-16)28-12-24(13-28)7-2-8-31-24/h3-6,10,16H,2,7-9,11-13,25H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyBZMFASNMONZLDZ-MRXNPFEDSA-N
MW450.56 g/mol
LogP3.29
Rot. Bonds3

About 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224729) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167224729
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6(CCCO6)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26N4O3S/c1-14-3-6-18-20(25)21(32-23(18)26-14)22(29)27-16-9-15-4-5-17(10-19(15)30-11-16)28-12-24(13-28)7-2-8-31-24/h3-6,10,16H,2,7-9,11-13,25H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyBZMFASNMONZLDZ-MRXNPFEDSA-N
XLogP3.29
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167224729) is 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6(CCCO6)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BZMFASNMONZLDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-14-3-6-18-20(25)21(32-23(18)26-14)22(29)27-16-9-15-4-5-17(10-19(15)30-11-16)28-12-24(13-28)7-2-8-31-24/h3-6,10,16H,2,7-9,11-13,25H2,1H3,(H,27,29)/t16-/m1/s1.
What are the key properties of 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).