3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H25F2N5O3S — CID 150807293

IUPAC3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-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(N5CC6CNCC(C5)O6)c(F)c(F)c4C3)sc2n1
InChIInChI=1S/C24H25F2N5O3S/c1-11-2-3-15-21(27)22(35-24(15)29-11)23(32)30-12-4-16-18(33-10-12)5-17(20(26)19(16)25)31-8-13-6-28-7-14(9-31)34-13/h2-3,5,12-14,28H,4,6-10,27H2,1H3,(H,30,32)/t12-,13?,14?/m1/s1
InChIKeyKHDGWVRZAYBSJB-IYXRBSQSSA-N
MW501.56 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 150807293) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID150807293
Molecular FormulaC24H25F2N5O3S
Molecular Weight501.56 g/mol
Exact Mass501.16
IUPAC Name3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-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(N5CC6CNCC(C5)O6)c(F)c(F)c4C3)sc2n1
InChIInChI=1S/C24H25F2N5O3S/c1-11-2-3-15-21(27)22(35-24(15)29-11)23(32)30-12-4-16-18(33-10-12)5-17(20(26)19(16)25)31-8-13-6-28-7-14(9-31)34-13/h2-3,5,12-14,28H,4,6-10,27H2,1H3,(H,30,32)/t12-,13?,14?/m1/s1
InChIKeyKHDGWVRZAYBSJB-IYXRBSQSSA-N
XLogP2.38
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

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3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
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3-amino-6-(difluoromethoxy)-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
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3-amino-6-ethoxy-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide
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CID 155277574
CID 155277574
3-amino-6-benzyl-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008937
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 150807293) is 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-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)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-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(N5CC6CNCC(C5)O6)c(F)c(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KHDGWVRZAYBSJB-IYXRBSQSSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-11-2-3-15-21(27)22(35-24(15)29-11)23(32)30-12-4-16-18(33-10-12)5-17(20(26)19(16)25)31-8-13-6-28-7-14(9-31)34-13/h2-3,5,12-14,28H,4,6-10,27H2,1H3,(H,30,32)/t12-,13?,14?/m1/s1.
What are the key properties of 3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 2.38, 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)-5,6-difluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 150807293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).