N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H27N5O3S — CID 167224815

IUPACN-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCO[C@@H]6CNC[C@@H]65)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S/c1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-6-7-31-20-11-26-10-18(20)29/h2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30)/t15-,18+,20-/m1/s1
InChIKeyVFPUKOLOWCFFEX-MOXGXCLJSA-N
MW465.58 g/mol
LogP2.10
Rot. Bonds3

About N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224815) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167224815
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCO[C@@H]6CNC[C@@H]65)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S/c1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-6-7-31-20-11-26-10-18(20)29/h2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30)/t15-,18+,20-/m1/s1
InChIKeyVFPUKOLOWCFFEX-MOXGXCLJSA-N
XLogP2.10
TPSA101.74 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 ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(3R)-7-[(1S,6R)-3,8-diazabicyclo[4.2.0]octan-8-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488887
3-amino-N-[(3R)-7-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489076
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
N-[(3R)-7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167664080
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
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-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167225014
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-[(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
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
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167224815) is N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCO[C@@H]6CNC[C@@H]65)ccc4C3)sc2n1.
What is the InChIKey of N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VFPUKOLOWCFFEX-MOXGXCLJSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-6-7-31-20-11-26-10-18(20)29/h2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30)/t15-,18+,20-/m1/s1.
What are the key properties of N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).