3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile

C26H32N10 — CID 146646912

IUPAC3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile
SMILESCc1cc(Nc2cc(N(C)Cc3cccnc3)nc(NC3CC4CC5(CCC#N)CC(C3)N45)n2)n[nH]1
InChIInChI=1S/C26H32N10/c1-17-9-23(34-33-17)30-22-12-24(35(2)16-18-5-3-8-28-15-18)32-25(31-22)29-19-10-20-13-26(6-4-7-27)14-21(11-19)36(20)26/h3,5,8-9,12,15,19-21H,4,6,10-11,13-14,16H2,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyVKCCSYKKYPFMEC-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.75
Rot. Bonds9

About 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile

3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile (PubChem CID 146646912) has the molecular formula C26H32N10 and a molecular weight of 484.61 g/mol. Its IUPAC name is 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile
PubChem CID146646912
Molecular FormulaC26H32N10
Molecular Weight484.61 g/mol
Exact Mass484.28
IUPAC Name3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile
SMILESCc1cc(Nc2cc(N(C)Cc3cccnc3)nc(NC3CC4CC5(CCC#N)CC(C3)N45)n2)n[nH]1
InChIInChI=1S/C26H32N10/c1-17-9-23(34-33-17)30-22-12-24(35(2)16-18-5-3-8-28-15-18)32-25(31-22)29-19-10-20-13-26(6-4-7-27)14-21(11-19)36(20)26/h3,5,8-9,12,15,19-21H,4,6,10-11,13-14,16H2,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyVKCCSYKKYPFMEC-UHFFFAOYSA-N
XLogP3.75
TPSA121.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile with MolForge

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Launch Full Analysis

Related Compounds

3-[(1S,5R)-3-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646458
[3-[[6-methoxy-2-[[9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]amino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]methanol
CID 140816337
3-[(1R,5S)-3-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646404
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
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
3-[3-[[1-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-a]pyrazin-3-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769880
3-[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645971
3-[(1S,5R)-3-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645747
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
3-[[5-ethyl-3-[[4-(1-methylimidazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cycloheptyl]amino]propanenitrile
CID 146646837
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 20607287
3-[2,6-dimethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146644889

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile?
The IUPAC name of 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile (CID 146646912) is 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile.
What is the SMILES notation for 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile?
The canonical SMILES for 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile is Cc1cc(Nc2cc(N(C)Cc3cccnc3)nc(NC3CC4CC5(CCC#N)CC(C3)N45)n2)n[nH]1.
What is the InChIKey of 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile?
The InChIKey is VKCCSYKKYPFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10/c1-17-9-23(34-33-17)30-22-12-24(35(2)16-18-5-3-8-28-15-18)32-25(31-22)29-19-10-20-13-26(6-4-7-27)14-21(11-19)36(20)26/h3,5,8-9,12,15,19-21H,4,6,10-11,13-14,16H2,1-2H3,(H3,29,30,31,32,33,34).
What are the key properties of 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile?
3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile has a molecular weight of 484.61 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonan-3-yl]propanenitrile is sourced from PubChem (CID 146646912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).