1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

C47H52N14O6 — CID 158195020

IUPAC1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C24H27N7O3.C23H25N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31;1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h5-8,11-12,14-16H,9-10,13H2,1-4H3;4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27)/t15-,16-;14-,15-/m11/s1
InChIKeyGAFUKIWXWNEGTC-GGFLWIRNSA-N
MW909.03 g/mol
LogP5.16
Rot. Bonds8

About 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (PubChem CID 158195020) has the molecular formula C47H52N14O6 and a molecular weight of 909.03 g/mol. Its IUPAC name is 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
PubChem CID158195020
Molecular FormulaC47H52N14O6
Molecular Weight909.03 g/mol
Exact Mass908.42
IUPAC Name1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C24H27N7O3.C23H25N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31;1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h5-8,11-12,14-16H,9-10,13H2,1-4H3;4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27)/t15-,16-;14-,15-/m11/s1
InChIKeyGAFUKIWXWNEGTC-GGFLWIRNSA-N
XLogP5.16
TPSA221.47 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.03
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

US9556190, Example 41
CID 118175273
US9556190, Example 40
CID 118175274
US9556190, Example 39
CID 118192293
US9556190, Example 45
CID 118192333
US9556190, Example 46
CID 136214298
US9556190, Example 47
CID 136214299
tert-Butyl 2-(5-(3-(Acetoxymethyl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)pyridin-4-yl)-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
CID 86684383
(1S)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 118175284
(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 118192306
1,1-Dimethyl-4-[[6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
CID 123181378
1-methyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 123519133
4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
CID 123533666

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (CID 158195020) is 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is C[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The InChIKey is GAFUKIWXWNEGTC-GGFLWIRNSA-N. The full InChI is InChI=1S/C24H27N7O3.C23H25N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31;1-14-8-9-15(27-20-19-17(10-11-24-20)23(2,3)33-22(19)32)12-29(14)21(31)16-6-4-5-7-18(16)30-26-13-25-28-30/h5-8,11-12,14-16H,9-10,13H2,1-4H3;4-7,10-11,13-15H,8-9,12H2,1-3H3,(H,24,27)/t15-,16-;14-,15-/m11/s1.
What are the key properties of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one has a molecular weight of 909.03 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 158195020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).