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

C24H27N5O3S — CID 151307460

IUPAC3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)C6(COC6)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S/c1-13-2-5-17-20(26)21(33-23(17)27-13)22(30)28-15-6-14-3-4-16(7-18(14)32-9-15)29-8-19(25)24(10-29)11-31-12-24/h2-5,7,15,19H,6,8-12,25-26H2,1H3,(H,28,30)/t15-,19-/m1/s1
InChIKeyODSGDHKZHNULIU-DNVCBOLYSA-N
MW465.58 g/mol
LogP2.08
Rot. Bonds3

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

3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 151307460) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID151307460
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)C6(COC6)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S/c1-13-2-5-17-20(26)21(33-23(17)27-13)22(30)28-15-6-14-3-4-16(7-18(14)32-9-15)29-8-19(25)24(10-29)11-31-12-24/h2-5,7,15,19H,6,8-12,25-26H2,1H3,(H,28,30)/t15-,19-/m1/s1
InChIKeyODSGDHKZHNULIU-DNVCBOLYSA-N
XLogP2.08
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
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
3-amino-N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224719
3-amino-N-[(3R)-7-[(4S,5R)-4-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 152606359
N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151847695
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492950
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493044
3-amino-N-[(3R)-7-[(3R,4S)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609536
3-amino-N-[(3R)-7-[(3S,4R)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609535
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429
tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
CID 137480438
3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 151307460) is 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)C6(COC6)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ODSGDHKZHNULIU-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-13-2-5-17-20(26)21(33-23(17)27-13)22(30)28-15-6-14-3-4-16(7-18(14)32-9-15)29-8-19(25)24(10-29)11-31-12-24/h2-5,7,15,19H,6,8-12,25-26H2,1H3,(H,28,30)/t15-,19-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 151307460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).