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

C20H27N7 — CID 165092955

IUPAC5-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
SMILESC.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1
InChIInChI=1S/C19H23N7.CH4/c1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;/h2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);1H4/t12-,13+,14?;
InChIKeyXAFLRRFIEKBBJI-LIWIJTDLSA-N
MW365.49 g/mol
LogP3.74
Rot. Bonds4

About 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

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 (PubChem CID 165092955) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165092955
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name5-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
SMILESC.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1
InChIInChI=1S/C19H23N7.CH4/c1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;/h2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);1H4/t12-,13+,14?;
InChIKeyXAFLRRFIEKBBJI-LIWIJTDLSA-N
XLogP3.74
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 166774132
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
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
5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine
CID 163249366
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
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.
What is the InChIKey of 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?
The InChIKey is XAFLRRFIEKBBJI-LIWIJTDLSA-N. The full InChI is InChI=1S/C19H23N7.CH4/c1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;/h2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);1H4/t12-,13+,14?;.
What are the key properties of 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?
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 has a molecular weight of 365.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165092955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).