N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide

C23H32N8O — CID 139375363

IUPACN-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide
SMILESCNC(=O)CNC1CCC(C)CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C1
InChIInChI=1S/C23H32N8O/c1-14-6-7-16(26-13-22(32)24-3)11-17(9-14)27-23-18-5-4-8-25-19(18)12-20(29-23)28-21-10-15(2)30-31-21/h4-5,8,10,12,14,16-17,26H,6-7,9,11,13H2,1-3H3,(H,24,32)(H3,27,28,29,30,31)
InChIKeyCLMVZVSTOHEQHI-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.10
Rot. Bonds7

About N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide

N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide (PubChem CID 139375363) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide
PubChem CID139375363
Molecular FormulaC23H32N8O
Molecular Weight436.56 g/mol
Exact Mass436.27
IUPAC NameN-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide
SMILESCNC(=O)CNC1CCC(C)CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C1
InChIInChI=1S/C23H32N8O/c1-14-6-7-16(26-13-22(32)24-3)11-17(9-14)27-23-18-5-4-8-25-19(18)12-20(29-23)28-21-10-15(2)30-31-21/h4-5,8,10,12,14,16-17,26H,6-7,9,11,13H2,1-3H3,(H,24,32)(H3,27,28,29,30,31)
InChIKeyCLMVZVSTOHEQHI-UHFFFAOYSA-N
XLogP3.10
TPSA119.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;methane
CID 165092955
5-N-(9-ethylsulfinyl-9-azabicyclo[3.3.1]nonan-3-yl)-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
CID 139375700
2-ethylsulfanyl-1-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 156600998
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(1R,5S)-8-(4H-pyrazol-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341951
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341844
3-[[(5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclobutane-1-carbonitrile
CID 167341783
3-[3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]azetidin-1-yl]propanenitrile
CID 146645218
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-9-pyridin-3-ylsulfanyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 146259511
5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
CID 146259504
1-[[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]sulfonyl]azetidine-3-carbonitrile
CID 140802135
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645966

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide (CID 139375363) is N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide is CNC(=O)CNC1CCC(C)CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C1.
What is the InChIKey of N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide?
The InChIKey is CLMVZVSTOHEQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O/c1-14-6-7-16(26-13-22(32)24-3)11-17(9-14)27-23-18-5-4-8-25-19(18)12-20(29-23)28-21-10-15(2)30-31-21/h4-5,8,10,12,14,16-17,26H,6-7,9,11,13H2,1-3H3,(H,24,32)(H3,27,28,29,30,31).
What are the key properties of N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide?
N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.10, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-methyl-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]cycloheptyl]amino]acetamide is sourced from PubChem (CID 139375363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).